4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile

C48H29N5 — CID 121307484

IUPAC4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H29N5/c49-30-33-27-34(31-50)47(29-46(33)52-42-21-11-9-19-39(42)40-20-10-12-22-43(40)52)53-44-26-24-37(51(35-14-3-1-4-15-35)36-16-5-2-6-17-36)28-41(44)48-38-18-8-7-13-32(38)23-25-45(48)53/h1-29H
InChIKeyABAFWINUFNSWTI-UHFFFAOYSA-N
MW675.80 g/mol
LogP12.25
Rot. Bonds5

About 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile

4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile (PubChem CID 121307484) has the molecular formula C48H29N5 and a molecular weight of 675.80 g/mol. Its IUPAC name is 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
PubChem CID121307484
Molecular FormulaC48H29N5
Molecular Weight675.80 g/mol
Exact Mass675.24
IUPAC Name4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C48H29N5/c49-30-33-27-34(31-50)47(29-46(33)52-42-21-11-9-19-39(42)40-20-10-12-22-43(40)52)53-44-26-24-37(51(35-14-3-1-4-15-35)36-16-5-2-6-17-36)28-41(44)48-38-18-8-7-13-32(38)23-25-45(48)53/h1-29H
InChIKeyABAFWINUFNSWTI-UHFFFAOYSA-N
XLogP12.25
TPSA60.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.80
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-carbazol-9-yl-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462687
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]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
5-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 153462451
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
2-benzo[c]carbazol-7-yl-5-[9-(N-phenylanilino)-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 121328873
4-isocyano-2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 153462523
2-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)-5-[7,7-dimethyl-2-(N-phenylanilino)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121329269
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
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
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
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 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile (CID 121307484) is 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)c(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4ccccc4ccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
The InChIKey is ABAFWINUFNSWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N5/c49-30-33-27-34(31-50)47(29-46(33)52-42-21-11-9-19-39(42)40-20-10-12-22-43(40)52)53-44-26-24-37(51(35-14-3-1-4-15-35)36-16-5-2-6-17-36)28-41(44)48-38-18-8-7-13-32(38)23-25-45(48)53/h1-29H.
What are the key properties of 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile?
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile has a molecular weight of 675.80 g/mol, XLogP of 12.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 121307484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).