4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile

C37H29N3 — CID 146519250

IUPAC4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile
SMILESN#CC1=CCC(n2c3ccccc3c3cccc(-c4cccc(N5c6ccccc6C6C=CC=CC65)c4)c32)CC1
InChIInChI=1S/C37H29N3/c38-24-25-19-21-27(22-20-25)40-36-18-6-3-13-32(36)33-15-8-14-29(37(33)40)26-9-7-10-28(23-26)39-34-16-4-1-11-30(34)31-12-2-5-17-35(31)39/h1-19,23,27,30,34H,20-22H2
InChIKeyBHPONFBMDRFFSS-UHFFFAOYSA-N
MW515.66 g/mol
LogP9.37
Rot. Bonds3

About 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile

4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile (PubChem CID 146519250) has the molecular formula C37H29N3 and a molecular weight of 515.66 g/mol. Its IUPAC name is 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile.

Molecular Properties

Compound Name4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile
PubChem CID146519250
Molecular FormulaC37H29N3
Molecular Weight515.66 g/mol
Exact Mass515.24
IUPAC Name4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile
SMILESN#CC1=CCC(n2c3ccccc3c3cccc(-c4cccc(N5c6ccccc6C6C=CC=CC65)c4)c32)CC1
InChIInChI=1S/C37H29N3/c38-24-25-19-21-27(22-20-25)40-36-18-6-3-13-32(36)33-15-8-14-29(37(33)40)26-9-7-10-28(23-26)39-34-16-4-1-11-30(34)31-12-2-5-17-35(31)39/h1-19,23,27,30,34H,20-22H2
InChIKeyBHPONFBMDRFFSS-UHFFFAOYSA-N
XLogP9.37
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 167280974
9-[2-[3-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 167281071
3-(4a,9a-dihydrocarbazol-9-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 165401491
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
9-[6-[3-[8-(4a,9a-dihydrocarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 163719008
9-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 70916078
3-(4a,9a-dihydrocarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 155205314
9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile
CID 163835714
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
2-[3-[6-[(9aR)-4a,9a-dihydrocarbazol-9-yl]-2-carbazol-9-yl-6-methyl-2,5-dihydro-1H-pyridin-4-yl]phenyl]benzonitrile
CID 165083634
5-[3-(4a,9a-dihydrocarbazol-9-yl)carbazol-9-yl]-2-(3-carbazol-9-ylcarbazol-9-yl)-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134292770

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile?
The IUPAC name of 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile (CID 146519250) is 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile.
What is the SMILES notation for 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile?
The canonical SMILES for 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile is N#CC1=CCC(n2c3ccccc3c3cccc(-c4cccc(N5c6ccccc6C6C=CC=CC65)c4)c32)CC1.
What is the InChIKey of 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile?
The InChIKey is BHPONFBMDRFFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3/c38-24-25-19-21-27(22-20-25)40-36-18-6-3-13-32(36)33-15-8-14-29(37(33)40)26-9-7-10-28(23-26)39-34-16-4-1-11-30(34)31-12-2-5-17-35(31)39/h1-19,23,27,30,34H,20-22H2.
What are the key properties of 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile?
4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile has a molecular weight of 515.66 g/mol, XLogP of 9.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazol-9-yl]cyclohexene-1-carbonitrile is sourced from PubChem (CID 146519250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).