2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile

C40H24N4 — CID 167175716

IUPAC2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C40H24N4/c41-25-31-17-18-32(26-42)40(44-37-15-7-5-13-35(37)36-14-6-8-16-38(36)44)39(31)43(33-21-19-27-9-1-3-11-29(27)23-33)34-22-20-28-10-2-4-12-30(28)24-34/h1-24H
InChIKeyILHNJNLTZUSKEO-UHFFFAOYSA-N
MW560.66 g/mol
LogP10.30
Rot. Bonds4

About 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile

2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile (PubChem CID 167175716) has the molecular formula C40H24N4 and a molecular weight of 560.66 g/mol. Its IUPAC name is 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile
PubChem CID167175716
Molecular FormulaC40H24N4
Molecular Weight560.66 g/mol
Exact Mass560.20
IUPAC Name2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C40H24N4/c41-25-31-17-18-32(26-42)40(44-37-15-7-5-13-35(37)36-14-6-8-16-38(36)44)39(31)43(33-21-19-27-9-1-3-11-29(27)23-33)34-22-20-28-10-2-4-12-30(28)24-34/h1-24H
InChIKeyILHNJNLTZUSKEO-UHFFFAOYSA-N
XLogP10.30
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.66
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-3-[N-naphthalen-2-yl-4-(N-phenylanilino)anilino]benzene-1,4-dicarbonitrile
CID 167175620
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
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121329133
2-carbazol-9-yl-3-(N-dibenzofuran-3-yl-4-phenylanilino)-4-isocyanobenzonitrile
CID 166027921
4-carbazol-9-yl-6-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,3-dicarbonitrile
CID 121307484
2-bromo-1-carbazol-9-yl-N,N-dinaphthalen-2-yldibenzothiophen-3-amine
CID 164883360
2,5-bis(benzo[c]carbazol-7-yl)benzene-1,3-dicarbonitrile
CID 121328874
4,5-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505
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

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile (CID 167175716) is 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-n2c3ccccc3c3ccccc32)c1N(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile?
The InChIKey is ILHNJNLTZUSKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4/c41-25-31-17-18-32(26-42)40(44-37-15-7-5-13-35(37)36-14-6-8-16-38(36)44)39(31)43(33-21-19-27-9-1-3-11-29(27)23-33)34-22-20-28-10-2-4-12-30(28)24-34/h1-24H.
What are the key properties of 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile?
2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile has a molecular weight of 560.66 g/mol, XLogP of 10.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-3-(dinaphthalen-2-ylamino)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 167175716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).