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

C34H26N4 — CID 59845044

IUPAC9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
SMILESCc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1C
InChIInChI=1S/C34H26N4/c1-23-16-17-26(22-24(23)2)34-36-35-33(38(34)27-10-4-3-5-11-27)25-18-20-28(21-19-25)37-31-14-8-6-12-29(31)30-13-7-9-15-32(30)37/h3-22H,1-2H3
InChIKeyVRYDOCGGDGAMQN-UHFFFAOYSA-N
MW490.61 g/mol
LogP8.32
Rot. Bonds4

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

9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole (PubChem CID 59845044) has the molecular formula C34H26N4 and a molecular weight of 490.61 g/mol. Its IUPAC name is 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
PubChem CID59845044
Molecular FormulaC34H26N4
Molecular Weight490.61 g/mol
Exact Mass490.22
IUPAC Name9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole
SMILESCc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1C
InChIInChI=1S/C34H26N4/c1-23-16-17-26(22-24(23)2)34-36-35-33(38(34)27-10-4-3-5-11-27)25-18-20-28(21-19-25)37-31-14-8-6-12-29(31)30-13-7-9-15-32(30)37/h3-22H,1-2H3
InChIKeyVRYDOCGGDGAMQN-UHFFFAOYSA-N
XLogP8.32
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 59844937
9-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole;9-[4-[4-phenyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 158512699
9-[4-[3-(2,5-dimethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845055
9-[4-[4-phenyl-5-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]carbazole
CID 59845028
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
9-phenyl-3-[4-phenyl-5-(9-phenylcarbazol-4-yl)-1,2,4-triazol-3-yl]carbazole
CID 122594038
9-[3,5-di(carbazol-9-yl)-2-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]carbazole
CID 134554853
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
CID 134194444
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole (CID 59845044) is 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole is Cc1ccc(-c2nnc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1C.
What is the InChIKey of 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
The InChIKey is VRYDOCGGDGAMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4/c1-23-16-17-26(22-24(23)2)34-36-35-33(38(34)27-10-4-3-5-11-27)25-18-20-28(21-19-25)37-31-14-8-6-12-29(31)30-13-7-9-15-32(30)37/h3-22H,1-2H3.
What are the key properties of 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole?
9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole has a molecular weight of 490.61 g/mol, XLogP of 8.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-(3,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]carbazole is sourced from PubChem (CID 59845044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).