9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile

C37H25N3 — CID 147061699

IUPAC9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)C1C=CC=CC1N2c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H25N3/c38-24-25-21-22-37-31(23-25)30-15-5-10-20-36(30)40(37)35-19-9-4-14-29(35)28-13-3-8-18-34(28)39-32-16-6-1-11-26(32)27-12-2-7-17-33(27)39/h1-23,30,36H
InChIKeyBDHKSEALIIVAHU-UHFFFAOYSA-N
MW511.63 g/mol
LogP9.05
Rot. Bonds3

About 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile

9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile (PubChem CID 147061699) has the molecular formula C37H25N3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile
PubChem CID147061699
Molecular FormulaC37H25N3
Molecular Weight511.63 g/mol
Exact Mass511.20
IUPAC Name9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)C1C=CC=CC1N2c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H25N3/c38-24-25-21-22-37-31(23-25)30-15-5-10-20-36(30)40(37)35-19-9-4-14-29(35)28-13-3-8-18-34(28)39-32-16-6-1-11-26(32)27-12-2-7-17-33(27)39/h1-23,30,36H
InChIKeyBDHKSEALIIVAHU-UHFFFAOYSA-N
XLogP9.05
TPSA31.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[9-(3-cyanophenyl)carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzonitrile
CID 170189437
3-(4a,9a-dihydrocarbazol-9-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 165401491
5-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 167280974
(4bR)-9-[2-(7-cyanodibenzothiophen-3-yl)phenyl]-4b,8a-dihydrocarbazole-2-carbonitrile
CID 167149506
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[2-[3-[3-(4a,9a-dihydrocarbazol-9-yl)phenyl]-2-cyanophenyl]-6-cyanophenyl]carbazole-3-carbonitrile
CID 167281071
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080582
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 155081299
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile?
The IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile (CID 147061699) is 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile?
The canonical SMILES for 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile is N#Cc1ccc2c(c1)C1C=CC=CC1N2c1ccccc1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile?
The InChIKey is BDHKSEALIIVAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3/c38-24-25-21-22-37-31(23-25)30-15-5-10-20-36(30)40(37)35-19-9-4-14-29(35)28-13-3-8-18-34(28)39-32-16-6-1-11-26(32)27-12-2-7-17-33(27)39/h1-23,30,36H.
What are the key properties of 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile?
9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile has a molecular weight of 511.63 g/mol, XLogP of 9.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-carbazol-9-ylphenyl)phenyl]-4b,8a-dihydrocarbazole-3-carbonitrile is sourced from PubChem (CID 147061699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).