2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile

C70H38N8 — CID 155216592

IUPAC2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1
InChIInChI=1S/C70H38N8/c71-39-44-9-17-48(18-10-44)53-25-29-65-58(33-53)59-34-54(49-19-11-45(40-72)12-20-49)26-30-66(59)77(65)69-37-57(64-8-4-7-63(76-64)52-5-2-1-3-6-52)38-70(62(69)43-75)78-67-31-27-55(50-21-13-46(41-73)14-22-50)35-60(67)61-36-56(28-32-68(61)78)51-23-15-47(42-74)16-24-51/h1-38H
InChIKeyPULYEZSXUVXRMH-UHFFFAOYSA-N
MW991.13 g/mol
LogP16.64
Rot. Bonds8

About 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile

2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile (PubChem CID 155216592) has the molecular formula C70H38N8 and a molecular weight of 991.13 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
PubChem CID155216592
Molecular FormulaC70H38N8
Molecular Weight991.13 g/mol
Exact Mass990.32
IUPAC Name2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1
InChIInChI=1S/C70H38N8/c71-39-44-9-17-48(18-10-44)53-25-29-65-58(33-53)59-34-54(49-19-11-45(40-72)12-20-49)26-30-66(59)77(65)69-37-57(64-8-4-7-63(76-64)52-5-2-1-3-6-52)38-70(62(69)43-75)78-67-31-27-55(50-21-13-46(41-73)14-22-50)35-60(67)61-36-56(28-32-68(61)78)51-23-15-47(42-74)16-24-51/h1-38H
InChIKeyPULYEZSXUVXRMH-UHFFFAOYSA-N
XLogP16.64
TPSA141.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.13
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,6-bis(2,7-diphenylcarbazol-9-yl)-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216709
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
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
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377637
4-[9-[3-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-2-cyano-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155217437
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 147296748
2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476269
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
4-[3-[4,6-bis[4-(4-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163984936

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile (CID 155216592) is 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile is N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C#N)cc4)ccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C#N)cc5)cc4c4cc(-c5ccc(C#N)cc5)ccc43)c2C#N)cc1.
What is the InChIKey of 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is PULYEZSXUVXRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H38N8/c71-39-44-9-17-48(18-10-44)53-25-29-65-58(33-53)59-34-54(49-19-11-45(40-72)12-20-49)26-30-66(59)77(65)69-37-57(64-8-4-7-63(76-64)52-5-2-1-3-6-52)38-70(62(69)43-75)78-67-31-27-55(50-21-13-46(41-73)14-22-50)35-60(67)61-36-56(28-32-68(61)78)51-23-15-47(42-74)16-24-51/h1-38H.
What are the key properties of 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile?
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile has a molecular weight of 991.13 g/mol, XLogP of 16.64, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 155216592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).