9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole

C56H36N6 — CID 134554853

IUPAC9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4ccccc43)n2-c2ccccc2)cc1
InChIInChI=1S/C56H36N6/c1-3-19-37(20-4-1)55-57-58-56(60(55)38-21-5-2-6-22-38)54-52(61-48-31-15-9-25-42(48)43-26-10-16-32-49(43)61)35-39(59-46-29-13-7-23-40(46)41-24-8-14-30-47(41)59)36-53(54)62-50-33-17-11-27-44(50)45-28-12-18-34-51(45)62/h1-36H
InChIKeyPGFKADSKLWHHJT-UHFFFAOYSA-N
MW792.95 g/mol
LogP13.89
Rot. Bonds6

About 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole

9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole (PubChem CID 134554853) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
PubChem CID134554853
Molecular FormulaC56H36N6
Molecular Weight792.95 g/mol
Exact Mass792.30
IUPAC Name9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4ccccc43)n2-c2ccccc2)cc1
InChIInChI=1S/C56H36N6/c1-3-19-37(20-4-1)55-57-58-56(60(55)38-21-5-2-6-22-38)54-52(61-48-31-15-9-25-42(48)43-26-10-16-32-49(43)61)35-39(59-46-29-13-7-23-40(46)41-24-8-14-30-47(41)59)36-53(54)62-50-33-17-11-27-44(50)45-28-12-18-34-51(45)62/h1-36H
InChIKeyPGFKADSKLWHHJT-UHFFFAOYSA-N
XLogP13.89
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.95
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845018
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845044
9-[4-[3-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845055
9-[2-carbazol-9-yl-6-[5-(3,5-diphenylphenyl)-4-phenyl-1,2,4-triazol-3-yl]-4-pyridinyl]carbazole
CID 58500961
9-[3-carbazol-9-yl-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142508176
9-[4-[5-(2-carbazol-9-yl-4-pyridinyl)-4-phenyl-1,2,4-triazol-3-yl]-2-pyridinyl]carbazole
CID 58500998
5-[2-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226943
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146227213
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501538
5-[3-[3-[1-(4,5-diphenyl-1,2,4-triazol-3-yl)carbazol-9-yl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146226899

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole (CID 134554853) is 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole is c1ccc(-c2nnc(-c3c(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)cc3-n3c4ccccc4c4ccccc43)n2-c2ccccc2)cc1.
What is the InChIKey of 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole?
The InChIKey is PGFKADSKLWHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-3-19-37(20-4-1)55-57-58-56(60(55)38-21-5-2-6-22-38)54-52(61-48-31-15-9-25-42(48)43-26-10-16-32-49(43)61)35-39(59-46-29-13-7-23-40(46)41-24-8-14-30-47(41)59)36-53(54)62-50-33-17-11-27-44(50)45-28-12-18-34-51(45)62/h1-36H.
What are the key properties of 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole?
9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole has a molecular weight of 792.95 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 134554853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).