2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile

C54H31N5O — CID 121328873

IUPAC2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C54H31N5O/c55-32-35-30-49(36(33-56)29-48(35)58-45-21-11-9-19-42(45)52-40-18-8-7-13-34(40)23-26-47(52)58)59-46-27-24-39(57(37-14-3-1-4-15-37)38-16-5-2-6-17-38)31-44(46)41-25-28-51-53(54(41)59)43-20-10-12-22-50(43)60-51/h1-31H
InChIKeyFDIILISSKPZNRW-UHFFFAOYSA-N
MW765.88 g/mol
LogP14.15
Rot. Bonds5

About 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile

2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile (PubChem CID 121328873) has the molecular formula C54H31N5O and a molecular weight of 765.88 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
PubChem CID121328873
Molecular FormulaC54H31N5O
Molecular Weight765.88 g/mol
Exact Mass765.25
IUPAC Name2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21
InChIInChI=1S/C54H31N5O/c55-32-35-30-49(36(33-56)29-48(35)58-45-21-11-9-19-42(45)52-40-18-8-7-13-34(40)23-26-47(52)58)59-46-27-24-39(57(37-14-3-1-4-15-37)38-16-5-2-6-17-38)31-44(46)41-25-28-51-53(54(41)59)43-20-10-12-22-50(43)60-51/h1-31H
InChIKeyFDIILISSKPZNRW-UHFFFAOYSA-N
XLogP14.15
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.88
LogP ≤ 514.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile 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

2,5-bis(9-oxa-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-24-yl)benzene-1,4-dicarbonitrile
CID 121329229
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)indeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile
CID 121328868
2,5-bis(12-oxa-23-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaen-23-yl)benzene-1,4-dicarbonitrile
CID 121328546
4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 153462523
2-benzo[c]carbazol-7-yl-5-([1]benzofuro[2,3-b]carbazol-7-yl)benzene-1,4-dicarbonitrile
CID 121328536
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
2-(3-carbazol-9-yl-11-phenylindolo[2,3-a]carbazol-12-yl)-5-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121329266
5-carbazol-9-yl-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462687
2,5-bis(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-4-isocyanobenzonitrile;2,5-bis(2-carbazol-9-yl-[1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanobenzonitrile;4-isocyano-2,5-bis[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile;4-isocyano-2,5-bis[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzonitrile
CID 158176115

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile (CID 121328873) is 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile is N#Cc1cc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3ccc4oc5ccccc5c4c32)c(C#N)cc1-n1c2ccccc2c2c3ccccc3ccc21.
What is the InChIKey of 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile?
The InChIKey is FDIILISSKPZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N5O/c55-32-35-30-49(36(33-56)29-48(35)58-45-21-11-9-19-42(45)52-40-18-8-7-13-34(40)23-26-47(52)58)59-46-27-24-39(57(37-14-3-1-4-15-37)38-16-5-2-6-17-38)31-44(46)41-25-28-51-53(54(41)59)43-20-10-12-22-50(43)60-51/h1-31H.
What are the key properties of 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile?
2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile has a molecular weight of 765.88 g/mol, XLogP of 14.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 121328873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).