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

C32H22N4 — CID 59844937

IUPAC9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C32H22N4/c1-3-11-23(12-4-1)31-33-34-32(36(31)25-13-5-2-6-14-25)24-19-21-26(22-20-24)35-29-17-9-7-15-27(29)28-16-8-10-18-30(28)35/h1-22H
InChIKeyJJMCVYXNEKWUGN-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.70
Rot. Bonds4

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

9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole (PubChem CID 59844937) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
PubChem CID59844937
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1
InChIInChI=1S/C32H22N4/c1-3-11-23(12-4-1)31-33-34-32(36(31)25-13-5-2-6-14-25)24-19-21-26(22-20-24)35-29-17-9-7-15-27(29)28-16-8-10-18-30(28)35/h1-22H
InChIKeyJJMCVYXNEKWUGN-UHFFFAOYSA-N
XLogP7.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 134554853
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845018
9-[4-[2-[2-[4-(5-naphthalen-2-yl-4-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501538
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
9-[4-[3-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845055
9-[4-(4-phenyl-5-quinolin-8-yl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59845039
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
5-[3-[3-(3,5-diphenyl-1,2,4-triazol-4-yl)carbazol-9-yl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 146227213

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole (CID 59844937) is 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole is c1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole?
The InChIKey is JJMCVYXNEKWUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-3-11-23(12-4-1)31-33-34-32(36(31)25-13-5-2-6-14-25)24-19-21-26(22-20-24)35-29-17-9-7-15-27(29)28-16-8-10-18-30(28)35/h1-22H.
What are the key properties of 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole?
9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole has a molecular weight of 462.56 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 59844937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).