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

C212H135F9N16 — CID 159024972

IUPAC4,5-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
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(C#N)c(-c4cccc(C#N)c4)cc3-n3c4cc(-c5ccccc5C)ccc4c4ccc(-c5ccccc5C)cc43)c2c1.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)cc1-c1cccc(C#N)c1
InChIInChI=1S/C66H46N4.2C52H34N4.C42H21F9N4/c1-41-14-5-9-20-52(41)47-24-28-56-57-29-25-48(53-21-10-6-15-42(53)2)34-62(57)69(61(56)33-47)65-37-51(40-68)60(46-19-13-18-45(32-46)39-67)38-66(65)70-63-35-49(54-22-11-7-16-43(54)3)26-30-58(63)59-31-27-50(36-64(59)70)55-23-12-8-17-44(55)4;1-33-13-4-6-17-39(33)37-23-25-49-44(28-37)41-19-8-10-21-47(41)55(49)51-30-43(36-16-12-15-35(27-36)32-53)46(54-3)31-52(51)56-48-22-11-9-20-42(48)45-29-38(24-26-50(45)56)40-18-7-5-14-34(40)2;1-33-13-4-6-17-39(33)37-23-25-43-41-19-8-10-21-47(41)55(49(43)28-37)51-30-45(36-16-12-15-35(27-36)32-53)46(54-3)31-52(51)56-48-22-11-9-20-42(48)44-26-24-38(29-50(44)56)40-18-7-5-14-34(40)2;1-22-6-10-34-29(14-22)30-16-25(40(43,44)45)7-11-35(30)55(34)39-20-33(53-2)28(24-5-3-4-23(15-24)21-52)19-38(39)54-36-12-8-26(41(46,47)48)17-31(36)32-18-27(42(49,50)51)9-13-37(32)54/h5-38H,1-4H3;2*4-31H,1-2H3;3-20H,1H3
InChIKeyJUEAZYTXRRYBFT-UHFFFAOYSA-N
MW3077.51 g/mol
LogP58.37
Rot. Bonds20

About 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

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 (PubChem CID 159024972) has the molecular formula C212H135F9N16 and a molecular weight of 3077.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-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
PubChem CID159024972
Molecular FormulaC212H135F9N16
Molecular Weight3077.51 g/mol
Exact Mass3075.09
IUPAC Name4,5-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
SMILESCc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(C#N)c(-c4cccc(C#N)c4)cc3-n3c4cc(-c5ccccc5C)ccc4c4ccc(-c5ccccc5C)cc43)c2c1.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)cc1-c1cccc(C#N)c1
InChIInChI=1S/C66H46N4.2C52H34N4.C42H21F9N4/c1-41-14-5-9-20-52(41)47-24-28-56-57-29-25-48(53-21-10-6-15-42(53)2)34-62(57)69(61(56)33-47)65-37-51(40-68)60(46-19-13-18-45(32-46)39-67)38-66(65)70-63-35-49(54-22-11-7-16-43(54)3)26-30-58(63)59-31-27-50(36-64(59)70)55-23-12-8-17-44(55)4;1-33-13-4-6-17-39(33)37-23-25-49-44(28-37)41-19-8-10-21-47(41)55(49)51-30-43(36-16-12-15-35(27-36)32-53)46(54-3)31-52(51)56-48-22-11-9-20-42(48)45-29-38(24-26-50(45)56)40-18-7-5-14-34(40)2;1-33-13-4-6-17-39(33)37-23-25-43-41-19-8-10-21-47(41)55(49(43)28-37)51-30-45(36-16-12-15-35(27-36)32-53)46(54-3)31-52(51)56-48-22-11-9-20-42(48)44-26-24-38(29-50(44)56)40-18-7-5-14-34(40)2;1-22-6-10-34-29(14-22)30-16-25(40(43,44)45)7-11-35(30)55(34)39-20-33(53-2)28(24-5-3-4-23(15-24)21-52)19-38(39)54-36-12-8-26(41(46,47)48)17-31(36)32-18-27(42(49,50)51)9-13-37(32)54/h5-38H,1-4H3;2*4-31H,1-2H3;3-20H,1H3
InChIKeyJUEAZYTXRRYBFT-UHFFFAOYSA-N
XLogP58.37
TPSA171.47 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms237
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003077.51
LogP ≤ 558.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1-c1ccc2c3ccc(-c4ccccc4C)cc3n(-c3cc(C#N)c(-c4cccc(C#N)c4)cc3-n3c4cc(-c5ccccc5C)ccc4c4ccc(-c5ccccc5C)cc43)c2c1.[C-]#[N+]c1cc(-n2c3ccc(C)cc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)cc1-c1cccc(C#N)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)c(-n2c3ccccc3c3ccc(-c4ccccc4C)cc32)cc1-c1cccc(C#N)c1.
What is the InChIKey of 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?
The InChIKey is JUEAZYTXRRYBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N4.2C52H34N4.C42H21F9N4/c1-41-14-5-9-20-52(41)47-24-28-56-57-29-25-48(53-21-10-6-15-42(53)2)34-62(57)69(61(56)33-47)65-37-51(40-68)60(46-19-13-18-45(32-46)39-67)38-66(65)70-63-35-49(54-22-11-7-16-43(54)3)26-30-58(63)59-31-27-50(36-64(59)70)55-23-12-8-17-44(55)4;1-33-13-4-6-17-39(33)37-23-25-49-44(28-37)41-19-8-10-21-47(41)55(49)51-30-43(36-16-12-15-35(27-36)32-53)46(54-3)31-52(51)56-48-22-11-9-20-42(48)45-29-38(24-26-50(45)56)40-18-7-5-14-34(40)2;1-33-13-4-6-17-39(33)37-23-25-43-41-19-8-10-21-47(41)55(49(43)28-37)51-30-45(36-16-12-15-35(27-36)32-53)46(54-3)31-52(51)56-48-22-11-9-20-42(48)44-26-24-38(29-50(44)56)40-18-7-5-14-34(40)2;1-22-6-10-34-29(14-22)30-16-25(40(43,44)45)7-11-35(30)55(34)39-20-33(53-2)28(24-5-3-4-23(15-24)21-52)19-38(39)54-36-12-8-26(41(46,47)48)17-31(36)32-18-27(42(49,50)51)9-13-37(32)54/h5-38H,1-4H3;2*4-31H,1-2H3;3-20H,1H3.
What are the key properties of 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?
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 has a molecular weight of 3077.51 g/mol, XLogP of 58.37, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159024972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).