2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile

C32H18N4 — CID 122433826

IUPAC2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccccc1-n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21
InChIInChI=1S/C32H18N4/c33-18-20-8-7-9-21(19-34)30(20)26-12-3-6-15-29(26)36-28-14-5-2-11-23(28)25-17-16-24-22-10-1-4-13-27(22)35-31(24)32(25)36/h1-17,35H
InChIKeyRKFJRVXAJUGLNX-UHFFFAOYSA-N
MW458.52 g/mol
LogP7.83
Rot. Bonds2

About 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile

2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile (PubChem CID 122433826) has the molecular formula C32H18N4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
PubChem CID122433826
Molecular FormulaC32H18N4
Molecular Weight458.52 g/mol
Exact Mass458.15
IUPAC Name2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccccc1-n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21
InChIInChI=1S/C32H18N4/c33-18-20-8-7-9-21(19-34)30(20)26-12-3-6-15-29(26)36-28-14-5-2-11-23(28)25-17-16-24-22-10-1-4-13-27(22)35-31(24)32(25)36/h1-17,35H
InChIKeyRKFJRVXAJUGLNX-UHFFFAOYSA-N
XLogP7.83
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

12-[2-(2-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165529
9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 148897475
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958355
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[2,3-a]carbazol-12-yl)benzonitrile
CID 153302859
9-[3-[2-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 155079598
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958337
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
12-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-phenylphenyl]-11H-indolo[2,3-a]carbazole
CID 169297799
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
CID 155081196

Frequently Asked Questions

What is the IUPAC name of 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile (CID 122433826) is 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccccc1-n1c2ccccc2c2ccc3c4ccccc4[nH]c3c21.
What is the InChIKey of 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is RKFJRVXAJUGLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18N4/c33-18-20-8-7-9-21(19-34)30(20)26-12-3-6-15-29(26)36-28-14-5-2-11-23(28)25-17-16-24-22-10-1-4-13-27(22)35-31(24)32(25)36/h1-17,35H.
What are the key properties of 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile?
2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 458.52 g/mol, XLogP of 7.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(11H-indolo[2,3-a]carbazol-12-yl)phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 122433826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).