4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile

C29H19N3 — CID 121357413

IUPAC4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C29H19N3/c30-19-20-10-13-22(14-11-20)31-23-15-17-27-26(18-23)29-25-9-5-4-6-21(25)12-16-28(29)32(27)24-7-2-1-3-8-24/h1-18,31H
InChIKeyCTKPVWWECONRJL-UHFFFAOYSA-N
MW409.49 g/mol
LogP7.55
Rot. Bonds3

About 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile

4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile (PubChem CID 121357413) has the molecular formula C29H19N3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile
PubChem CID121357413
Molecular FormulaC29H19N3
Molecular Weight409.49 g/mol
Exact Mass409.16
IUPAC Name4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C29H19N3/c30-19-20-10-13-22(14-11-20)31-23-15-17-27-26(18-23)29-25-9-5-4-6-21(25)12-16-28(29)32(27)24-7-2-1-3-8-24/h1-18,31H
InChIKeyCTKPVWWECONRJL-UHFFFAOYSA-N
XLogP7.55
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-phenylbenzo[c]carbazol-10-yl)pyridine-4-carbonitrile
CID 118397617
5-(10-carbazol-9-ylbenzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328756
methyl 2-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzoate
CID 90265812
ethane;N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 144861482
10-methyl-7-phenylbenzo[c]carbazole
CID 66635542
4-[2-(N-[4-[4-(naphtho[2,1-b][1]benzothiol-9-ylamino)-N-phenanthren-2-ylanilino]phenyl]anilino)carbazol-9-yl]benzonitrile
CID 166644754
9-phenyl-N-[4-[4-[(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
CID 118227253
6-(4-cyanophenyl)-15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene-10-carbonitrile
CID 146180291
7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
2,5-bis(24-phenyl-9,24-diazahexacyclo[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-9-yl)benzene-1,4-dicarbonitrile
CID 121328528

Frequently Asked Questions

What is the IUPAC name of 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile?
The IUPAC name of 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile (CID 121357413) is 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile.
What is the SMILES notation for 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile?
The canonical SMILES for 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile is N#Cc1ccc(Nc2ccc3c(c2)c2c4ccccc4ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile?
The InChIKey is CTKPVWWECONRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3/c30-19-20-10-13-22(14-11-20)31-23-15-17-27-26(18-23)29-25-9-5-4-6-21(25)12-16-28(29)32(27)24-7-2-1-3-8-24/h1-18,31H.
What are the key properties of 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile?
4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile has a molecular weight of 409.49 g/mol, XLogP of 7.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-phenylbenzo[c]carbazol-10-yl)amino]benzonitrile is sourced from PubChem (CID 121357413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).