9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole

C34H32N4 — CID 140716002

IUPAC9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole
SMILESCc1cc(C)n(-c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccn6)CCCCC5)cc43)c2)n1
InChIInChI=1S/C34H32N4/c1-24-21-25(2)38(36-24)28-12-10-11-27(23-28)37-31-14-5-4-13-29(31)30-17-16-26(22-32(30)37)34(18-7-3-8-19-34)33-15-6-9-20-35-33/h4-6,9-17,20-23H,3,7-8,18-19H2,1-2H3
InChIKeyXCFJRWMGYFUPFB-UHFFFAOYSA-N
MW496.66 g/mol
LogP8.23
Rot. Bonds4

About 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole

9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole (PubChem CID 140716002) has the molecular formula C34H32N4 and a molecular weight of 496.66 g/mol. Its IUPAC name is 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole.

Molecular Properties

Compound Name9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole
PubChem CID140716002
Molecular FormulaC34H32N4
Molecular Weight496.66 g/mol
Exact Mass496.26
IUPAC Name9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole
SMILESCc1cc(C)n(-c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccn6)CCCCC5)cc43)c2)n1
InChIInChI=1S/C34H32N4/c1-24-21-25(2)38(36-24)28-12-10-11-27(23-28)37-31-14-5-4-13-29(31)30-17-16-26(22-32(30)37)34(18-7-3-8-19-34)33-15-6-9-20-35-33/h4-6,9-17,20-23H,3,7-8,18-19H2,1-2H3
InChIKeyXCFJRWMGYFUPFB-UHFFFAOYSA-N
XLogP8.23
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-2-ylcyclopentyl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 140715562
[3-(3,5-dimethylpyrazol-1-yl)phenyl]-diphenyl-(9-pyridin-2-ylcarbazol-2-yl)silane
CID 155636088
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
9-[4-[1-(4-carbazol-9-ylphenyl)cyclohexyl]phenyl]carbazole;ethane
CID 144612449
2-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 140945448
2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-N,N-dimethylpyridin-4-amine;platinum
CID 158641122
9-(3-carbazol-9-ylphenyl)-3-pyridin-2-ylpyrido[3,4-b]indole
CID 139574913
2-[1-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]cyclobutyl]pyridine;2-[1-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]cyclohexyl]pyridine;2-[1-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]cyclopentyl]pyridine;2-[1-[3-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]cyclopropyl]pyridine;tetrakis(palladium(2+))
CID 162113195
2-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole;platinum(2+)
CID 159758959
9-[2-[2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]carbazol-9-yl]-3,5-dimethyl-4-pyridinyl]-1,3,6,8-tetramethylcarbazole
CID 171769468
4-methyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]aniline
CID 163511732
9-(3-indazol-1-ylphenyl)-2-pyridin-2-ylcarbazole
CID 140730801

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole?
The IUPAC name of 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole (CID 140716002) is 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole.
What is the SMILES notation for 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole?
The canonical SMILES for 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole is Cc1cc(C)n(-c2cccc(-n3c4ccccc4c4ccc(C5(c6ccccn6)CCCCC5)cc43)c2)n1.
What is the InChIKey of 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole?
The InChIKey is XCFJRWMGYFUPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4/c1-24-21-25(2)38(36-24)28-12-10-11-27(23-28)37-31-14-5-4-13-29(31)30-17-16-26(22-32(30)37)34(18-7-3-8-19-34)33-15-6-9-20-35-33/h4-6,9-17,20-23H,3,7-8,18-19H2,1-2H3.
What are the key properties of 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole?
9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole has a molecular weight of 496.66 g/mol, XLogP of 8.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1-pyridin-2-ylcyclohexyl)carbazole is sourced from PubChem (CID 140716002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).