4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS#: 148494-98-8; ChemWhat Code: 1491287

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol
IUPAC Name4,12,20,21-tetrahydroxy-8,16,24,25-tetrazahexacyclo[15.7.1.02,7.09,25.010,15.018,23]pentacosa-1,3,6,9,11,14,16,18,20,22-decaene-5,13-dione 
Molecular Structurestructure of 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS 148494-98-8
CAS Registry Number 148494-98-8
Synonyms148494-98-8
4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol
4a,14b-Dihydro-4b1,5,10,15-tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol
F82841
2,3,7,8,12,13-Tricycloquinazolinehexol (9CI)
Molecular FormulaC21H12N4O6
Molecular Weight416.3
InChIInChI=1S/C21H12N4O6/c26-13-1-7-10(4-16(13)29)22-20-9-3-15(28)18(31)6-12(9)24-21-8-2-14(27)17(30)5-11(8)23-19(7)25(20)21/h1-6,22-23,26-28,30H
InChI KeyGPGQPWRGFWZUIF-UHFFFAOYSA-N
SMILESC1=C2C(=CC(=C1O)O)NC3=C4C=C(C(=O)C=C4NC5=C6C=C(C(=O)C=C6N=C2N35)O)O

Physical Data

No data available

Spectra

4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS#: 148494-98-8 NMRNMR of 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS 148494-98-8

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS 148494-98-8
Route of Synthesis (ROS) of 4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol CAS 148494-98-8
ConditionsYield
With pyridine hydrochloride at 230℃; for 3h;50%
With hydrogenchloride In pyridine
With pyridine; acetic anhydride at 230℃;

Safety and Hazards

No data available

Other Data

TransportationUnder the room temperature and away from light
HS Code
StorageUnder the room temperature and away from light
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
Molecular Weight416.349
logP3.037
HBA4
HBD6
Matching Lipinski Rules3
Veber rules component
Polar Surface Area (PSA)161.7
Rotatable Bond (RotB)0
Matching Veber Rules1
Use Pattern
4b1,5,10,15-Tetraazanaphtho[1,2,3-gh]tetraphene-2,3,7,8,12,13-hexaol is used in a electronic chemicals.

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