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

C41H31N3 — CID 59499912

IUPAC3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1
InChIInChI=1S/C41H31N3/c1-28-23-29(2)25-33(24-28)32-17-22-40-37(26-32)36-15-9-10-16-39(36)43(40)34-18-20-35(21-19-34)44-41(31-13-7-4-8-14-31)27-38(42-44)30-11-5-3-6-12-30/h3-27H,1-2H3
InChIKeyJUDUOLALGRSKIP-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.59
Rot. Bonds5

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

3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole (PubChem CID 59499912) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
PubChem CID59499912
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1
InChIInChI=1S/C41H31N3/c1-28-23-29(2)25-33(24-28)32-17-22-40-37(26-32)36-15-9-10-16-39(36)43(40)34-18-20-35(21-19-34)44-41(31-13-7-4-8-14-31)27-38(42-44)30-11-5-3-6-12-30/h3-27H,1-2H3
InChIKeyJUDUOLALGRSKIP-UHFFFAOYSA-N
XLogP10.59
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]carbazole
CID 59499933
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
3-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]-9-(2-phenylphenyl)carbazole
CID 59501236
3-[2-[2-[4-[5-(4-tert-butylphenyl)-3-phenylpyrazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501207
3-(3-methyl-5-phenylphenyl)-9-phenylcarbazole
CID 123628919
3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501172
9-[4-(3,5-dimethylphenyl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[4-[4-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 162173783
3-[9-[3-[4-(3,5-dimethylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370607
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole?
The IUPAC name of 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole (CID 59499912) is 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole?
The canonical SMILES for 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole is Cc1cc(C)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole?
The InChIKey is JUDUOLALGRSKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-28-23-29(2)25-33(24-28)32-17-22-40-37(26-32)36-15-9-10-16-39(36)43(40)34-18-20-35(21-19-34)44-41(31-13-7-4-8-14-31)27-38(42-44)30-11-5-3-6-12-30/h3-27H,1-2H3.
What are the key properties of 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole?
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole has a molecular weight of 565.72 g/mol, XLogP of 10.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 59499912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).