2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile

C38H22N4 — CID 140877447

IUPAC2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1c2c(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C38H22N4/c1-40-32-20-12-13-25(24-39)35(32)36-37-30(28-18-8-10-21-33(28)41(37)26-14-4-2-5-15-26)23-31-29-19-9-11-22-34(29)42(38(31)36)27-16-6-3-7-17-27/h2-23H
InChIKeyOEHPCVOIVZOCBS-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.97
Rot. Bonds3

About 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile

2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile (PubChem CID 140877447) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile.

Molecular Properties

Compound Name2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile
PubChem CID140877447
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile
SMILES[C-]#[N+]c1cccc(C#N)c1-c1c2c(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C38H22N4/c1-40-32-20-12-13-25(24-39)35(32)36-37-30(28-18-8-10-21-33(28)41(37)26-14-4-2-5-15-26)23-31-29-19-9-11-22-34(29)42(38(31)36)27-16-6-3-7-17-27/h2-23H
InChIKeyOEHPCVOIVZOCBS-UHFFFAOYSA-N
XLogP9.97
TPSA38.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-[5,7-bis(2,6-dimethylphenyl)indolo[2,3-b]carbazol-6-yl]-3-isocyanobenzonitrile
CID 140877347
3-isocyano-2-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]benzonitrile
CID 155645685
2-[5-(2-cyano-6-isocyanophenyl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645689
2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645760
2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
CID 155645732
2-[5-(2-cyano-6-isocyanophenyl)-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155645644
2,5-bis(4-carbazol-9-yl-11-phenylindolo[3,2-b]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153461983
2-[5-(2-cyano-6-isocyanophenyl)-9-(3,5-diphenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155645720
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]-8-isocyanocarbazole-3-carbonitrile
CID 155603824
3-carbazol-9-yl-2-(5-carbazol-9-yl-2-isocyanophenyl)benzonitrile
CID 169076205
1-(2,6-diisocyanophenyl)-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 140877419

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile?
The IUPAC name of 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile (CID 140877447) is 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile.
What is the SMILES notation for 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile?
The canonical SMILES for 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile is [C-]#[N+]c1cccc(C#N)c1-c1c2c(cc3c4ccccc4n(-c4ccccc4)c13)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile?
The InChIKey is OEHPCVOIVZOCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c1-40-32-20-12-13-25(24-39)35(32)36-37-30(28-18-8-10-21-33(28)41(37)26-14-4-2-5-15-26)23-31-29-19-9-11-22-34(29)42(38(31)36)27-16-6-3-7-17-27/h2-23H.
What are the key properties of 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile?
2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-diphenylindolo[2,3-b]carbazol-6-yl)-3-isocyanobenzonitrile is sourced from PubChem (CID 140877447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).