3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile

C39H26N4 — CID 163872016

IUPAC3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccccc2-c2cc(C#N)c(C#N)c(-n3c4ccccc4c4ccccc43)c2)C1
InChIInChI=1S/C39H26N4/c1-25-18-19-38-32(20-25)31-13-5-9-17-37(31)42(38)34-14-6-2-10-28(34)26-21-27(23-40)33(24-41)39(22-26)43-35-15-7-3-11-29(35)30-12-4-8-16-36(30)43/h2-19,21-22,25H,20H2,1H3
InChIKeyPLQDLOUNACEMPY-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.34
Rot. Bonds3

About 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile

3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile (PubChem CID 163872016) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
PubChem CID163872016
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
SMILESCC1C=Cc2c(c3ccccc3n2-c2ccccc2-c2cc(C#N)c(C#N)c(-n3c4ccccc4c4ccccc43)c2)C1
InChIInChI=1S/C39H26N4/c1-25-18-19-38-32(20-25)31-13-5-9-17-37(31)42(38)34-14-6-2-10-28(34)26-21-27(23-40)33(24-41)39(22-26)43-35-15-7-3-11-29(35)30-12-4-8-16-36(30)43/h2-19,21-22,25H,20H2,1H3
InChIKeyPLQDLOUNACEMPY-UHFFFAOYSA-N
XLogP9.34
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]dibenzothiophene-3-carbonitrile
CID 163708431
5-([1]benzofuro[3,2-b]carbazol-11-yl)-2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 160666217
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
2,6-di(carbazol-9-yl)-4-[2-(3-triphenylsilylcarbazol-9-yl)phenyl]benzonitrile
CID 171722977
5-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081736
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile
CID 155080659
9-[2-[4-(3-carbazol-9-yl-2-cyanophenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080288
9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole
CID 167285063
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile (CID 163872016) is 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile is CC1C=Cc2c(c3ccccc3n2-c2ccccc2-c2cc(C#N)c(C#N)c(-n3c4ccccc4c4ccccc43)c2)C1.
What is the InChIKey of 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile?
The InChIKey is PLQDLOUNACEMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-25-18-19-38-32(20-25)31-13-5-9-17-37(31)42(38)34-14-6-2-10-28(34)26-21-27(23-40)33(24-41)39(22-26)43-35-15-7-3-11-29(35)30-12-4-8-16-36(30)43/h2-19,21-22,25H,20H2,1H3.
What are the key properties of 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile?
3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile has a molecular weight of 550.67 g/mol, XLogP of 9.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 163872016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).