2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile

C82H50N8 — CID 155377637

IUPAC2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1
InChIInChI=1S/C82H50N8/c83-51-53-18-13-27-58(44-53)63-49-81(89-77-45-59(73-32-14-28-69(85-73)54-19-5-1-6-20-54)36-40-64(77)65-41-37-60(46-78(65)89)74-33-15-29-70(86-74)55-21-7-2-8-22-55)68(52-84)82(50-63)90-79-47-61(75-34-16-30-71(87-75)56-23-9-3-10-24-56)38-42-66(79)67-43-39-62(48-80(67)90)76-35-17-31-72(88-76)57-25-11-4-12-26-57/h1-50H
InChIKeyYXKQGGLPQPAACY-UHFFFAOYSA-N
MW1147.36 g/mol
LogP20.21
Rot. Bonds11

About 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile

2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (PubChem CID 155377637) has the molecular formula C82H50N8 and a molecular weight of 1147.36 g/mol. Its IUPAC name is 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
PubChem CID155377637
Molecular FormulaC82H50N8
Molecular Weight1147.36 g/mol
Exact Mass1146.42
IUPAC Name2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1
InChIInChI=1S/C82H50N8/c83-51-53-18-13-27-58(44-53)63-49-81(89-77-45-59(73-32-14-28-69(85-73)54-19-5-1-6-20-54)36-40-64(77)65-41-37-60(46-78(65)89)74-33-15-29-70(86-74)55-21-7-2-8-22-55)68(52-84)82(50-63)90-79-47-61(75-34-16-30-71(87-75)56-23-9-3-10-24-56)38-42-66(79)67-43-39-62(48-80(67)90)76-35-17-31-72(88-76)57-25-11-4-12-26-57/h1-50H
InChIKeyYXKQGGLPQPAACY-UHFFFAOYSA-N
XLogP20.21
TPSA109.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.36
LogP ≤ 520.21
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
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
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216592
4-(3-cyanophenyl)-2,6-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 155646771
4-(3-cyanophenyl)-2,6-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146238092
3-[4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 146237978
2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377762
3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922166
2,6-bis[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377522
2,6-bis[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[3-(trifluoromethyl)phenyl]benzonitrile
CID 159473488
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
3-[7-(3-cyanophenyl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421391

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The IUPAC name of 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile (CID 155377637) is 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C#N)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1.
What is the InChIKey of 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
The InChIKey is YXKQGGLPQPAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N8/c83-51-53-18-13-27-58(44-53)63-49-81(89-77-45-59(73-32-14-28-69(85-73)54-19-5-1-6-20-54)36-40-64(77)65-41-37-60(46-78(65)89)74-33-15-29-70(86-74)55-21-7-2-8-22-55)68(52-84)82(50-63)90-79-47-61(75-34-16-30-71(87-75)56-23-9-3-10-24-56)38-42-66(79)67-43-39-62(48-80(67)90)76-35-17-31-72(88-76)57-25-11-4-12-26-57/h1-50H.
What are the key properties of 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile?
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile has a molecular weight of 1147.36 g/mol, XLogP of 20.21, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).