4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile

C82H50N8 — CID 155377806

IUPAC4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C#N)c1
InChIInChI=1S/C82H50N8/c83-47-53-14-13-23-62(40-53)72-46-82(90-79-43-60(65-30-38-75(87-51-65)56-19-9-3-10-20-56)26-34-70(79)71-35-27-61(44-80(71)90)66-31-39-76(88-52-66)57-21-11-4-12-22-57)81(45-67(72)48-84)89-77-41-58(63-28-36-73(85-49-63)54-15-5-1-6-16-54)24-32-68(77)69-33-25-59(42-78(69)89)64-29-37-74(86-50-64)55-17-7-2-8-18-55/h1-46,49-52H
InChIKeyGUOUABXNUNMIIR-UHFFFAOYSA-N
MW1147.36 g/mol
LogP20.21
Rot. Bonds11

About 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile

4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile (PubChem CID 155377806) has the molecular formula C82H50N8 and a molecular weight of 1147.36 g/mol. Its IUPAC name is 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
PubChem CID155377806
Molecular FormulaC82H50N8
Molecular Weight1147.36 g/mol
Exact Mass1146.42
IUPAC Name4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C#N)c1
InChIInChI=1S/C82H50N8/c83-47-53-14-13-23-62(40-53)72-46-82(90-79-43-60(65-30-38-75(87-51-65)56-19-9-3-10-20-56)26-34-70(79)71-35-27-61(44-80(71)90)66-31-39-76(88-52-66)57-21-11-4-12-22-57)81(45-67(72)48-84)89-77-41-58(63-28-36-73(85-49-63)54-15-5-1-6-16-54)24-32-68(77)69-33-25-59(42-78(69)89)64-29-37-74(86-50-64)55-17-7-2-8-18-55/h1-46,49-52H
InChIKeyGUOUABXNUNMIIR-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

2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465932
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155427516
4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)benzonitrile;3-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-isocyano-5-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzonitrile;2-(3-cyanophenyl)-4,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 159083792
4-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[2-cyano-6-(trifluoromethyl)phenyl]-5-[2-(5-phenyl-2-pyridinyl)-7-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 163947146
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 146237934
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654254
4-[2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544317
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216774
3-[7-(3-cyanophenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421194
4-[2,6-bis(trifluoromethyl)phenyl]-2,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137392575

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile?
The IUPAC name of 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile (CID 155377806) is 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2cc(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4cc(-c5ccc(-c6ccccc6)nc5)ccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C#N)c1.
What is the InChIKey of 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile?
The InChIKey is GUOUABXNUNMIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N8/c83-47-53-14-13-23-62(40-53)72-46-82(90-79-43-60(65-30-38-75(87-51-65)56-19-9-3-10-20-56)26-34-70(79)71-35-27-61(44-80(71)90)66-31-39-76(88-52-66)57-21-11-4-12-22-57)81(45-67(72)48-84)89-77-41-58(63-28-36-73(85-49-63)54-15-5-1-6-16-54)24-32-68(77)69-33-25-59(42-78(69)89)64-29-37-74(86-50-64)55-17-7-2-8-18-55/h1-46,49-52H.
What are the key properties of 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile?
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(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 4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).