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

C224H136N22 — CID 159083792

IUPAC4,5-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
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C#N)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4ccc(-c5ccccc5)cn4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2C#N)c1
InChIInChI=1S/2C82H50N8.C60H36N6/c1-84-63-28-14-27-57(45-63)68-51-82(90-79-48-60(75-35-17-31-71(87-75)55-23-10-4-11-24-55)39-43-66(79)67-44-40-61(49-80(67)90)76-36-18-32-72(88-76)56-25-12-5-13-26-56)81(50-62(68)52-83)89-77-46-58(73-33-15-29-69(85-73)53-19-6-2-7-20-53)37-41-64(77)65-42-38-59(47-78(65)89)74-34-16-30-70(86-74)54-21-8-3-9-22-54;1-84-76-50-82(90-79-42-37-61(74-32-16-29-71(87-74)56-23-10-4-11-24-56)47-67(79)68-48-62(38-43-80(68)90)75-33-17-30-72(88-75)57-25-12-5-13-26-57)81(49-64(76)58-27-14-18-53(44-58)51-83)89-77-40-35-59(69-39-34-63(52-85-69)54-19-6-2-7-20-54)45-65(77)66-46-60(36-41-78(66)89)73-31-15-28-70(86-73)55-21-8-3-9-22-55;61-35-39-12-11-17-44(30-39)52-34-60(66-56-21-10-8-19-49(56)51-27-23-43(32-58(51)66)46-25-29-54(64-38-46)41-15-5-2-6-16-41)59(33-47(52)36-62)65-55-20-9-7-18-48(55)50-26-22-42(31-57(50)65)45-24-28-53(63-37-45)40-13-3-1-4-14-40/h2-51H;2-50,52H;1-34,37-38H
InChIKeyKBEMVGFEPIYIKC-UHFFFAOYSA-N
MW3135.71 g/mol
LogP56.52
Rot. Bonds29

About 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

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 (PubChem CID 159083792) has the molecular formula C224H136N22 and a molecular weight of 3135.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-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
PubChem CID159083792
Molecular FormulaC224H136N22
Molecular Weight3135.71 g/mol
Exact Mass3133.13
IUPAC Name4,5-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
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C#N)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4ccc(-c5ccccc5)cn4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2C#N)c1
InChIInChI=1S/2C82H50N8.C60H36N6/c1-84-63-28-14-27-57(45-63)68-51-82(90-79-48-60(75-35-17-31-71(87-75)55-23-10-4-11-24-55)39-43-66(79)67-44-40-61(49-80(67)90)76-36-18-32-72(88-76)56-25-12-5-13-26-56)81(50-62(68)52-83)89-77-46-58(73-33-15-29-69(85-73)53-19-6-2-7-20-53)37-41-64(77)65-42-38-59(47-78(65)89)74-34-16-30-70(86-74)54-21-8-3-9-22-54;1-84-76-50-82(90-79-42-37-61(74-32-16-29-71(87-74)56-23-10-4-11-24-56)47-67(79)68-48-62(38-43-80(68)90)75-33-17-30-72(88-75)57-25-12-5-13-26-57)81(49-64(76)58-27-14-18-53(44-58)51-83)89-77-40-35-59(69-39-34-63(52-85-69)54-19-6-2-7-20-54)45-65(77)66-46-60(36-41-78(66)89)73-31-15-28-70(86-73)55-21-8-3-9-22-55;61-35-39-12-11-17-44(30-39)52-34-60(66-56-21-10-8-19-49(56)51-27-23-43(32-58(51)66)46-25-29-54(64-38-46)41-15-5-2-6-16-41)59(33-47(52)36-62)65-55-20-9-7-18-48(55)50-26-22-42(31-57(50)65)45-24-28-53(63-37-45)40-13-3-1-4-14-40/h2-51H;2-50,52H;1-34,37-38H
InChIKeyKBEMVGFEPIYIKC-UHFFFAOYSA-N
XLogP56.52
TPSA262.36 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003135.71
LogP ≤ 556.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377806
4-(3-isocyanophenyl)-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 155647013
3-[5-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-[2,7-bis(3-isocyanophenyl)carbazol-9-yl]-2-isocyanophenyl]-5-methylbenzonitrile;3-[4-[3-(3-cyanophenyl)carbazol-9-yl]-2-isocyano-5-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-5-methylbenzonitrile;3-[2-isocyano-4,5-bis[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-5-methylbenzonitrile
CID 160700322
5-[9-[2-[2,7-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-isocyano-4-(3-isocyanophenyl)phenyl]-7-(3,5-diisocyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]carbazol-3-yl]-5-isocyanobenzonitrile;4-[9-[2-[3-(2-cyano-4-isocyanophenyl)-6-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-isocyanophenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;3-[9-[2-[2-(3,5-diisocyanophenyl)carbazol-9-yl]-4-isocyano-5-(3-isocyanophenyl)phenyl]carbazol-2-yl]-5-isocyanobenzonitrile
CID 161061923
2,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465932
2,5-bis[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile;3-[2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-isocyanophenyl]benzonitrile;4-(3-cyanophenyl)-2,5-bis[2-(4-methylphenyl)carbazol-9-yl]benzonitrile;3-[4-isocyano-5-[3-(4-methylphenyl)carbazol-9-yl]-2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 160953925
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
CID 160746775
4-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-5-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;9-[4-(4,6-dimethylpyrimidin-2-yl)-5-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]phenyl]-2-(3-isocyanophenyl)carbazole
CID 159913250
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-[9-[2-[2,7-bis(4-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethylpyrimidin-2-yl)-4-isocyanophenyl]-7-(4-isocyanophenyl)carbazol-2-yl]benzonitrile;4-[9-[2-[3-(4-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)-4-isocyanophenyl]carbazol-3-yl]benzonitrile;4-[9-[5-(4,6-dimethylpyrimidin-2-yl)-4-isocyano-2-[2-(4-isocyanophenyl)carbazol-9-yl]phenyl]carbazol-2-yl]benzonitrile
CID 160689550
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216774

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)cc2C#N)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-n2c3ccc(-c4ccc(-c5ccccc5)cn4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)cc2C#N)c1.
What is the InChIKey of 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?
The InChIKey is KBEMVGFEPIYIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C82H50N8.C60H36N6/c1-84-63-28-14-27-57(45-63)68-51-82(90-79-48-60(75-35-17-31-71(87-75)55-23-10-4-11-24-55)39-43-66(79)67-44-40-61(49-80(67)90)76-36-18-32-72(88-76)56-25-12-5-13-26-56)81(50-62(68)52-83)89-77-46-58(73-33-15-29-69(85-73)53-19-6-2-7-20-53)37-41-64(77)65-42-38-59(47-78(65)89)74-34-16-30-70(86-74)54-21-8-3-9-22-54;1-84-76-50-82(90-79-42-37-61(74-32-16-29-71(87-74)56-23-10-4-11-24-56)47-67(79)68-48-62(38-43-80(68)90)75-33-17-30-72(88-75)57-25-12-5-13-26-57)81(49-64(76)58-27-14-18-53(44-58)51-83)89-77-40-35-59(69-39-34-63(52-85-69)54-19-6-2-7-20-54)45-65(77)66-46-60(36-41-78(66)89)73-31-15-28-70(86-73)55-21-8-3-9-22-55;61-35-39-12-11-17-44(30-39)52-34-60(66-56-21-10-8-19-49(56)51-27-23-43(32-58(51)66)46-25-29-54(64-38-46)41-15-5-2-6-16-41)59(33-47(52)36-62)65-55-20-9-7-18-48(55)50-26-22-42(31-57(50)65)45-24-28-53(63-37-45)40-13-3-1-4-14-40/h2-51H;2-50,52H;1-34,37-38H.
What are the key properties of 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?
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 has a molecular weight of 3135.71 g/mol, XLogP of 56.52, 29 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159083792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).