5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile

C61H35N7 — CID 139538925

IUPAC5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)n5)cccc43)c(C#N)c(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)n5)cccc43)c2)c1
InChIInChI=1S/C61H35N7/c62-36-39-31-40(37-63)33-43(32-39)44-34-58(67-54-27-9-7-19-47(54)60-45(21-11-29-56(60)67)52-25-13-23-50(65-52)41-15-3-1-4-16-41)49(38-64)59(35-44)68-55-28-10-8-20-48(55)61-46(22-12-30-57(61)68)53-26-14-24-51(66-53)42-17-5-2-6-18-42/h1-35H
InChIKeyHIVCFCCKQJXFBX-UHFFFAOYSA-N
MW866.00 g/mol
LogP14.62
Rot. Bonds7

About 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile

5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 139538925) has the molecular formula C61H35N7 and a molecular weight of 866.00 g/mol. Its IUPAC name is 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
PubChem CID139538925
Molecular FormulaC61H35N7
Molecular Weight866.00 g/mol
Exact Mass865.30
IUPAC Name5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)n5)cccc43)c(C#N)c(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)n5)cccc43)c2)c1
InChIInChI=1S/C61H35N7/c62-36-39-31-40(37-63)33-43(32-39)44-34-58(67-54-27-9-7-19-47(54)60-45(21-11-29-56(60)67)52-25-13-23-50(65-52)41-15-3-1-4-16-41)49(38-64)59(35-44)68-55-28-10-8-20-48(55)61-46(22-12-30-57(61)68)53-26-14-24-51(66-53)42-17-5-2-6-18-42/h1-35H
InChIKeyHIVCFCCKQJXFBX-UHFFFAOYSA-N
XLogP14.62
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.00
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
5-[9-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-cyano-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155217684
5-[9-[2-cyano-5-(3-cyanophenyl)-3-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142465799
2-[3-carbazol-9-yl-6-[4-[9-[2-cyano-5-(2,6-dimethyl-4-pyridinyl)-3-(2-phenylcarbazol-9-yl)phenyl]-7-phenylcarbazol-3-yl]carbazol-9-yl]carbazol-9-yl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302072
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
2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216709
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
9-[2-cyano-3-(3-cyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217487
2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216461

Frequently Asked Questions

What is the IUPAC name of 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile (CID 139538925) is 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2cc(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)n5)cccc43)c(C#N)c(-n3c4ccccc4c4c(-c5cccc(-c6ccccc6)n5)cccc43)c2)c1.
What is the InChIKey of 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is HIVCFCCKQJXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N7/c62-36-39-31-40(37-63)33-43(32-39)44-34-58(67-54-27-9-7-19-47(54)60-45(21-11-29-56(60)67)52-25-13-23-50(65-52)41-15-3-1-4-16-41)49(38-64)59(35-44)68-55-28-10-8-20-48(55)61-46(22-12-30-57(61)68)53-26-14-24-51(66-53)42-17-5-2-6-18-42/h1-35H.
What are the key properties of 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile?
5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 866.00 g/mol, XLogP of 14.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyano-3,5-bis[4-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 139538925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).