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

C235H158N16 — CID 160953925

IUPAC2,5-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
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3cccc(C#N)c3)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)cc2C#N)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)c(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)cc4C#N)c3c2)cc1.[C-]#[N+]c1cc(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)c(-c2cccc(C#N)c2)cc1-n1c2cc(-c3ccc(C)cc3)ccc2c2ccc(-c3ccc(C)cc3)cc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2cccc(C#N)c2)cc1-n1c2ccccc2c2cc(-c3ccc(C)cc3)ccc21
InChIInChI=1S/2C66H46N4.C52H34N4.C51H32N4/c1-41-9-17-46(18-10-41)50-25-29-55-56-30-26-51(47-19-11-42(2)12-20-47)35-62(56)69(61(55)34-50)65-39-60(68-5)66(38-59(65)54-8-6-7-45(33-54)40-67)70-63-36-52(48-21-13-43(3)14-22-48)27-31-57(63)58-32-28-53(37-64(58)70)49-23-15-44(4)16-24-49;1-41-8-16-46(17-9-41)50-24-28-61-57(33-50)58-34-51(47-18-10-42(2)11-19-47)25-29-62(58)69(61)65-38-56(54-7-5-6-45(32-54)39-67)66(37-55(65)40-68)70-63-30-26-52(48-20-12-43(3)13-21-48)35-59(63)60-36-53(27-31-64(60)70)49-22-14-44(4)15-23-49;1-33-14-18-36(19-15-33)38-22-24-44-42-10-3-5-12-47(42)55(50(44)27-38)49-30-46(40-9-7-8-35(26-40)31-53)52(29-41(49)32-54)56-48-13-6-4-11-43(48)45-25-23-39(28-51(45)56)37-20-16-34(2)17-21-37;1-33-19-21-36(22-20-33)38-24-26-49-44(29-38)41-16-7-9-18-47(41)55(49)51-30-42(39-14-10-11-34(27-39)32-52)50(31-45(51)53-2)54-46-17-8-6-15-40(46)43-28-37(23-25-48(43)54)35-12-4-3-5-13-35/h6-39H,1-4H3;5-38H,1-4H3;3-30H,1-2H3;3-31H,1H3
InChIKeySWCYSMQJPPEGGK-UHFFFAOYSA-N
MW3205.96 g/mol
LogP61.92
Rot. Bonds24

About 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

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 (PubChem CID 160953925) has the molecular formula C235H158N16 and a molecular weight of 3205.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID160953925
Molecular FormulaC235H158N16
Molecular Weight3205.96 g/mol
Exact Mass3203.29
IUPAC Name2,5-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
SMILESCc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3cccc(C#N)c3)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)cc2C#N)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)c(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)cc4C#N)c3c2)cc1.[C-]#[N+]c1cc(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)c(-c2cccc(C#N)c2)cc1-n1c2cc(-c3ccc(C)cc3)ccc2c2ccc(-c3ccc(C)cc3)cc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2cccc(C#N)c2)cc1-n1c2ccccc2c2cc(-c3ccc(C)cc3)ccc21
InChIInChI=1S/2C66H46N4.C52H34N4.C51H32N4/c1-41-9-17-46(18-10-41)50-25-29-55-56-30-26-51(47-19-11-42(2)12-20-47)35-62(56)69(61(55)34-50)65-39-60(68-5)66(38-59(65)54-8-6-7-45(33-54)40-67)70-63-36-52(48-21-13-43(3)14-22-48)27-31-57(63)58-32-28-53(37-64(58)70)49-23-15-44(4)16-24-49;1-41-8-16-46(17-9-41)50-24-28-61-57(33-50)58-34-51(47-18-10-42(2)11-19-47)25-29-62(58)69(61)65-38-56(54-7-5-6-45(32-54)39-67)66(37-55(65)40-68)70-63-30-26-52(48-20-12-43(3)13-21-48)35-59(63)60-36-53(27-31-64(60)70)49-22-14-44(4)15-23-49;1-33-14-18-36(19-15-33)38-22-24-44-42-10-3-5-12-47(42)55(50(44)27-38)49-30-46(40-9-7-8-35(26-40)31-53)52(29-41(49)32-54)56-48-13-6-4-11-43(48)45-25-23-39(28-51(45)56)37-20-16-34(2)17-21-37;1-33-19-21-36(22-20-33)38-24-26-49-44(29-38)41-16-7-9-18-47(41)55(49)51-30-42(39-14-10-11-34(27-39)32-52)50(31-45(51)53-2)54-46-17-8-6-15-40(46)43-28-37(23-25-48(43)54)35-12-4-3-5-13-35/h6-39H,1-4H3;5-38H,1-4H3;3-30H,1-2H3;3-31H,1H3
InChIKeySWCYSMQJPPEGGK-UHFFFAOYSA-N
XLogP61.92
TPSA190.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms251
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003205.96
LogP ≤ 561.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

4-(3-cyanophenyl)-2,5-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 155646695
4-(3-cyanophenyl)-2,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 155377735
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
9-[2-cyano-5-(3-cyanophenyl)-4-(3-isocyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 155646735
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-[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
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
3-[2-isocyano-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 155647004
2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile;2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,6-bis[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 158829725
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile;3-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-isocyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]benzonitrile;3-[2-isocyano-4,5-bis[2-(2-methylphenyl)carbazol-9-yl]phenyl]benzonitrile;3-[2-isocyano-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 159024972
9-[2-cyano-4-(2-cyano-7-isocyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-7-isocyanocarbazole-2-carbonitrile
CID 155646678
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C)cc4)ccc2n3-c2cc(-c3cccc(C#N)c3)c(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5ccc(C)cc5)ccc43)cc2C#N)cc1.Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)c(-n5c6ccccc6c6ccc(-c7ccc(C)cc7)cc65)cc4C#N)c3c2)cc1.[C-]#[N+]c1cc(-n2c3cc(-c4ccc(C)cc4)ccc3c3ccc(-c4ccc(C)cc4)cc32)c(-c2cccc(C#N)c2)cc1-n1c2cc(-c3ccc(C)cc3)ccc2c2ccc(-c3ccc(C)cc3)cc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2cccc(C#N)c2)cc1-n1c2ccccc2c2cc(-c3ccc(C)cc3)ccc21.
What is the InChIKey of 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?
The InChIKey is SWCYSMQJPPEGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C66H46N4.C52H34N4.C51H32N4/c1-41-9-17-46(18-10-41)50-25-29-55-56-30-26-51(47-19-11-42(2)12-20-47)35-62(56)69(61(55)34-50)65-39-60(68-5)66(38-59(65)54-8-6-7-45(33-54)40-67)70-63-36-52(48-21-13-43(3)14-22-48)27-31-57(63)58-32-28-53(37-64(58)70)49-23-15-44(4)16-24-49;1-41-8-16-46(17-9-41)50-24-28-61-57(33-50)58-34-51(47-18-10-42(2)11-19-47)25-29-62(58)69(61)65-38-56(54-7-5-6-45(32-54)39-67)66(37-55(65)40-68)70-63-30-26-52(48-20-12-43(3)13-21-48)35-59(63)60-36-53(27-31-64(60)70)49-22-14-44(4)15-23-49;1-33-14-18-36(19-15-33)38-22-24-44-42-10-3-5-12-47(42)55(50(44)27-38)49-30-46(40-9-7-8-35(26-40)31-53)52(29-41(49)32-54)56-48-13-6-4-11-43(48)45-25-23-39(28-51(45)56)37-20-16-34(2)17-21-37;1-33-19-21-36(22-20-33)38-24-26-49-44(29-38)41-16-7-9-18-47(41)55(49)51-30-42(39-14-10-11-34(27-39)32-52)50(31-45(51)53-2)54-46-17-8-6-15-40(46)43-28-37(23-25-48(43)54)35-12-4-3-5-13-35/h6-39H,1-4H3;5-38H,1-4H3;3-30H,1-2H3;3-31H,1H3.
What are the key properties of 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?
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 has a molecular weight of 3205.96 g/mol, XLogP of 61.92, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160953925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).