4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile

C51H33N7 — CID 142508264

IUPAC4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile
SMILESN#Cc1c(-c2ccncc2)c(-c2ccncc2)c(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C51H33N7/c52-34-44-47(35-17-25-53-26-18-35)49(37-21-29-55-30-22-37)51(50(38-23-31-56-32-24-38)48(44)36-19-27-54-28-20-36)58-45-14-8-7-13-42(45)43-33-41(15-16-46(43)58)57(39-9-3-1-4-10-39)40-11-5-2-6-12-40/h1-33H
InChIKeyVXDPJBBVASLSSD-UHFFFAOYSA-N
MW743.87 g/mol
LogP12.37
Rot. Bonds8

About 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile

4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile (PubChem CID 142508264) has the molecular formula C51H33N7 and a molecular weight of 743.87 g/mol. Its IUPAC name is 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile
PubChem CID142508264
Molecular FormulaC51H33N7
Molecular Weight743.87 g/mol
Exact Mass743.28
IUPAC Name4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile
SMILESN#Cc1c(-c2ccncc2)c(-c2ccncc2)c(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-c2ccncc2)c1-c1ccncc1
InChIInChI=1S/C51H33N7/c52-34-44-47(35-17-25-53-26-18-35)49(37-21-29-55-30-22-37)51(50(38-23-31-56-32-24-38)48(44)36-19-27-54-28-20-36)58-45-14-8-7-13-42(45)43-33-41(15-16-46(43)58)57(39-9-3-1-4-10-39)40-11-5-2-6-12-40/h1-33H
InChIKeyVXDPJBBVASLSSD-UHFFFAOYSA-N
XLogP12.37
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-bis[3,6-bis(N-phenylanilino)carbazol-9-yl]-2,4-bis(4-cyanophenyl)-6-(4-isocyanophenyl)benzonitrile
CID 122606818
5-[2-cyano-5-(4-cyanophenyl)-3-(6-isocyano-3-pyridinyl)-4,6-bis[3-(N-phenylanilino)carbazol-9-yl]phenyl]pyridine-2-carbonitrile
CID 140745591
4-(3-aminocarbazol-9-yl)-2,3,5,6-tetraphenylbenzonitrile;4-[3,6-bis[2-(N-phenylanilino)phenyl]carbazol-9-yl]-2,3,5,6-tetraphenylbenzonitrile
CID 137369087
2,3,4-tris(4-carbazol-9-ylphenyl)-6-(2,6-diphenyl-4-pyridinyl)-5-pyridin-4-ylbenzonitrile
CID 158193540
N,N-diphenyl-9-[4-[3-[3-(N-phenylanilino)carbazol-9-yl]-4-pyridinyl]-3-pyridinyl]carbazol-3-amine
CID 122433898
3-N-[9-(2,6-diphenylphenyl)carbazol-3-yl]-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275846
9-[3,4,5-tris(3-cyanocarbazol-9-yl)-2-(4,6-diphenylpyrimidin-2-yl)-6-pyridin-4-ylphenyl]carbazole-3-carbonitrile
CID 139545281
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
2-carbazol-9-yl-3-[10-(N-phenylanilino)benzo[c]carbazol-7-yl]benzene-1,4-dicarbonitrile
CID 121328605
5-(2,6-diphenylpyrimidin-4-yl)-2-[3-(N-phenylanilino)carbazol-9-yl]benzonitrile
CID 126735104
4-[4-phenyl-6-[4-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]pyrimidin-2-yl]benzonitrile
CID 126730725

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile?
The IUPAC name of 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile (CID 142508264) is 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile.
What is the SMILES notation for 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile?
The canonical SMILES for 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile is N#Cc1c(-c2ccncc2)c(-c2ccncc2)c(-n2c3ccccc3c3cc(N(c4ccccc4)c4ccccc4)ccc32)c(-c2ccncc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile?
The InChIKey is VXDPJBBVASLSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N7/c52-34-44-47(35-17-25-53-26-18-35)49(37-21-29-55-30-22-37)51(50(38-23-31-56-32-24-38)48(44)36-19-27-54-28-20-36)58-45-14-8-7-13-42(45)43-33-41(15-16-46(43)58)57(39-9-3-1-4-10-39)40-11-5-2-6-12-40/h1-33H.
What are the key properties of 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile?
4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile has a molecular weight of 743.87 g/mol, XLogP of 12.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N-phenylanilino)carbazol-9-yl]-2,3,5,6-tetrapyridin-4-ylbenzonitrile is sourced from PubChem (CID 142508264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).