2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C50H28N6 — CID 134301953

IUPAC2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1
InChIInChI=1S/C50H28N6/c51-29-32-9-13-34(14-10-32)37-17-19-47-42(25-37)40-5-1-3-7-45(40)55(47)49-27-39(36-21-23-54-24-22-36)28-50(44(49)31-53)56-46-8-4-2-6-41(46)43-26-38(18-20-48(43)56)35-15-11-33(30-52)12-16-35/h1-28H
InChIKeyWMNZXQKNRQHXBG-UHFFFAOYSA-N
MW712.82 g/mol
LogP11.89
Rot. Bonds5

About 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 134301953) has the molecular formula C50H28N6 and a molecular weight of 712.82 g/mol. Its IUPAC name is 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
PubChem CID134301953
Molecular FormulaC50H28N6
Molecular Weight712.82 g/mol
Exact Mass712.24
IUPAC Name2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1
InChIInChI=1S/C50H28N6/c51-29-32-9-13-34(14-10-32)37-17-19-47-42(25-37)40-5-1-3-7-45(40)55(47)49-27-39(36-21-23-54-24-22-36)28-50(44(49)31-53)56-46-8-4-2-6-41(46)43-26-38(18-20-48(43)56)35-15-11-33(30-52)12-16-35/h1-28H
InChIKeyWMNZXQKNRQHXBG-UHFFFAOYSA-N
XLogP11.89
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.82
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134292587
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134293067
4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazol-3-yl]benzonitrile
CID 138579032
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-pyridin-4-ylbenzonitrile
CID 164744019
2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-6-[3,6-bis(4-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;4-[9-[2-cyano-3-[2-(4-cyano-2-isocyanophenyl)-7-(2,4-diisocyanophenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-7-(2-cyano-4-isocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;2-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[2-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;2-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-6-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 162083468
2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296278
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512928
5-[9-[2-cyano-5-(3,5-dicyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 139538914
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 134301953) is 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1.
What is the InChIKey of 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
The InChIKey is WMNZXQKNRQHXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6/c51-29-32-9-13-34(14-10-32)37-17-19-47-42(25-37)40-5-1-3-7-45(40)55(47)49-27-39(36-21-23-54-24-22-36)28-50(44(49)31-53)56-46-8-4-2-6-41(46)43-26-38(18-20-48(43)56)35-15-11-33(30-52)12-16-35/h1-28H.
What are the key properties of 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?
2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 712.82 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 134301953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).