2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile

C48H31N5 — CID 167175620

IUPAC2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C48H31N5/c49-32-36-23-24-37(33-50)48(53-45-21-11-9-19-43(45)44-20-10-12-22-46(44)53)47(36)52(42-26-25-34-13-7-8-14-35(34)31-42)41-29-27-40(28-30-41)51(38-15-3-1-4-16-38)39-17-5-2-6-18-39/h1-31H
InChIKeyFYAACAKMFQEZTN-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.62
Rot. Bonds7

About 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile

2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile (PubChem CID 167175620) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile
PubChem CID167175620
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C48H31N5/c49-32-36-23-24-37(33-50)48(53-45-21-11-9-19-43(45)44-20-10-12-22-46(44)53)47(36)52(42-26-25-34-13-7-8-14-35(34)31-42)41-29-27-40(28-30-41)51(38-15-3-1-4-16-38)39-17-5-2-6-18-39/h1-31H
InChIKeyFYAACAKMFQEZTN-UHFFFAOYSA-N
XLogP12.62
TPSA58.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile
CID 167175716
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)benzene-1,4-dicarbonitrile
CID 167175654
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121324500
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N-(3-bromo-5-carbazol-9-ylphenyl)-N-phenylnaphthalen-2-amine
CID 144888442
2-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 121328730
N-[4-(9-methylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631436
7-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)-N,N-diphenylnaphthalen-2-amine
CID 145273348
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile (CID 167175620) is 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile?
The InChIKey is FYAACAKMFQEZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5/c49-32-36-23-24-37(33-50)48(53-45-21-11-9-19-43(45)44-20-10-12-22-46(44)53)47(36)52(42-26-25-34-13-7-8-14-35(34)31-42)41-29-27-40(28-30-41)51(38-15-3-1-4-16-38)39-17-5-2-6-18-39/h1-31H.
What are the key properties of 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile?
2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile has a molecular weight of 677.81 g/mol, XLogP of 12.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 167175620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).