9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole

C40H29N3 — CID 59499994

IUPAC9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
SMILESCc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C40H29N3/c1-28-15-17-31(18-16-28)37-27-40(32-21-19-30(20-22-32)29-9-3-2-4-10-29)43(41-37)34-25-23-33(24-26-34)42-38-13-7-5-11-35(38)36-12-6-8-14-39(36)42/h2-27H,1H3
InChIKeyFEMXCQXJUATDNL-UHFFFAOYSA-N
MW551.69 g/mol
LogP10.28
Rot. Bonds5

About 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole

9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole (PubChem CID 59499994) has the molecular formula C40H29N3 and a molecular weight of 551.69 g/mol. Its IUPAC name is 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
PubChem CID59499994
Molecular FormulaC40H29N3
Molecular Weight551.69 g/mol
Exact Mass551.24
IUPAC Name9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
SMILESCc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C40H29N3/c1-28-15-17-31(18-16-28)37-27-40(32-21-19-30(20-22-32)29-9-3-2-4-10-29)43(41-37)34-25-23-33(24-26-34)42-38-13-7-5-11-35(38)36-12-6-8-14-39(36)42/h2-27H,1H3
InChIKeyFEMXCQXJUATDNL-UHFFFAOYSA-N
XLogP10.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.69
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
CID 59499912
9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204
3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501172
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
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166
1,3,5-triphenylpyrazole
CID 626614
5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole
CID 58663550
3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501357
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole (CID 59499994) is 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole is Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole?
The InChIKey is FEMXCQXJUATDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N3/c1-28-15-17-31(18-16-28)37-27-40(32-21-19-30(20-22-32)29-9-3-2-4-10-29)43(41-37)34-25-23-33(24-26-34)42-38-13-7-5-11-35(38)36-12-6-8-14-39(36)42/h2-27H,1H3.
What are the key properties of 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole?
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole has a molecular weight of 551.69 g/mol, XLogP of 10.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole is sourced from PubChem (CID 59499994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).