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

C40H30N4 — CID 59499933

IUPAC3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3nc(-c4ccccc4)nc3-c3ccccc3)cc2)c1
InChIInChI=1S/C40H30N4/c1-27-23-28(2)25-32(24-27)31-17-22-38-36(26-31)35-15-9-10-16-37(35)43(38)33-18-20-34(21-19-33)44-40(30-13-7-4-8-14-30)41-39(42-44)29-11-5-3-6-12-29/h3-26H,1-2H3
InChIKeyVECUCMQQVQEIMT-UHFFFAOYSA-N
MW566.71 g/mol
LogP9.98
Rot. Bonds5

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

3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole (PubChem CID 59499933) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
PubChem CID59499933
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3nc(-c4ccccc4)nc3-c3ccccc3)cc2)c1
InChIInChI=1S/C40H30N4/c1-27-23-28(2)25-32(24-27)31-17-22-38-36(26-31)35-15-9-10-16-37(35)43(38)33-18-20-34(21-19-33)44-40(30-13-7-4-8-14-30)41-39(42-44)29-11-5-3-6-12-29/h3-26H,1-2H3
InChIKeyVECUCMQQVQEIMT-UHFFFAOYSA-N
XLogP9.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[3,5-bis(4-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500053
3-[2-[2-[4-[5-(4-methylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501332
9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]-3,6-bis(3-phenylphenyl)carbazole;9-[4-[5-(4-naphthalen-2-ylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole;9-[4-[3-phenyl-5-(3-phenylphenyl)-1,2,4-triazol-1-yl]phenyl]carbazole
CID 159980819
3-[2-[2-[4-[3,5-bis(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501297
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
9-[4-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501295
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
CID 59499912
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
9-(4-tert-butylphenyl)-3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]carbazole
CID 59501160
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-[2-[2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]phenyl]phenyl]-6-naphthalen-1-yl-9-phenylcarbazole
CID 59501290
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole?
The IUPAC name of 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole (CID 59499933) is 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole?
The canonical SMILES for 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3nc(-c4ccccc4)nc3-c3ccccc3)cc2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole?
The InChIKey is VECUCMQQVQEIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-27-23-28(2)25-32(24-27)31-17-22-38-36(26-31)35-15-9-10-16-37(35)43(38)33-18-20-34(21-19-33)44-40(30-13-7-4-8-14-30)41-39(42-44)29-11-5-3-6-12-29/h3-26H,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole?
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole has a molecular weight of 566.71 g/mol, XLogP of 9.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 59499933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).