4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole

C224H186N12 — CID 157072749

IUPAC4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C#N)c(-c5cc(C)nc(C)c5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C84H70N4.C74H66N4.C66H50N4/c1-48-32-52(5)81(53(6)33-48)62-24-28-75-68(40-62)69-41-63(82-54(7)34-49(2)35-55(82)8)25-29-76(69)87(75)79-46-67(66-44-72(60-20-16-14-17-21-60)86-73(45-66)61-22-18-15-19-23-61)74(85-13)47-80(79)88-77-30-26-64(83-56(9)36-50(3)37-57(83)10)42-70(77)71-43-65(27-31-78(71)88)84-58(11)38-51(4)39-59(84)12;1-40-23-44(5)71(45(6)24-40)54-15-19-60-61-20-16-55(72-46(7)25-41(2)26-47(72)8)34-66(61)77(65(60)33-54)69-37-59(39-75)64(58-31-52(13)76-53(14)32-58)38-70(69)78-67-35-56(73-48(9)27-42(3)28-49(73)10)17-21-62(67)63-22-18-57(36-68(63)78)74-50(11)29-43(4)30-51(74)12;1-40-30-42(3)65(43(4)31-40)48-26-28-61-54(34-48)51-22-14-16-24-59(51)69(61)63-38-53(50-36-56(46-18-10-8-11-19-46)68-57(37-50)47-20-12-9-13-21-47)58(67-7)39-64(63)70-60-25-17-15-23-52(60)55-35-49(27-29-62(55)70)66-44(5)32-41(2)33-45(66)6/h14-47H,1-12H3;15-38H,1-14H3;8-39H,1-6H3
InChIKeyACPUUBAJMYVSDV-UHFFFAOYSA-N
MW3046.04 g/mol
LogP61.01
Rot. Bonds23

About 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole

4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole (PubChem CID 157072749) has the molecular formula C224H186N12 and a molecular weight of 3046.04 g/mol. Its IUPAC name is 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
PubChem CID157072749
Molecular FormulaC224H186N12
Molecular Weight3046.04 g/mol
Exact Mass3043.49
IUPAC Name4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C#N)c(-c5cc(C)nc(C)c5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C84H70N4.C74H66N4.C66H50N4/c1-48-32-52(5)81(53(6)33-48)62-24-28-75-68(40-62)69-41-63(82-54(7)34-49(2)35-55(82)8)25-29-76(69)87(75)79-46-67(66-44-72(60-20-16-14-17-21-60)86-73(45-66)61-22-18-15-19-23-61)74(85-13)47-80(79)88-77-30-26-64(83-56(9)36-50(3)37-57(83)10)42-70(77)71-43-65(27-31-78(71)88)84-58(11)38-51(4)39-59(84)12;1-40-23-44(5)71(45(6)24-40)54-15-19-60-61-20-16-55(72-46(7)25-41(2)26-47(72)8)34-66(61)77(65(60)33-54)69-37-59(39-75)64(58-31-52(13)76-53(14)32-58)38-70(69)78-67-35-56(73-48(9)27-42(3)28-49(73)10)17-21-62(67)63-22-18-57(36-68(63)78)74-50(11)29-43(4)30-51(74)12;1-40-30-42(3)65(43(4)31-40)48-26-28-61-54(34-48)51-22-14-16-24-59(51)69(61)63-38-53(50-36-56(46-18-10-8-11-19-46)68-57(37-50)47-20-12-9-13-21-47)58(67-7)39-64(63)70-60-25-17-15-23-52(60)55-35-49(27-29-62(55)70)66-44(5)32-41(2)33-45(66)6/h14-47H,1-12H3;15-38H,1-14H3;8-39H,1-6H3
InChIKeyACPUUBAJMYVSDV-UHFFFAOYSA-N
XLogP61.01
TPSA100.76 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms236
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003046.04
LogP ≤ 561.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole (CID 157072749) is 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C#N)c(-c5cc(C)nc(C)c5)cc4-n4c5cc(-c6c(C)cc(C)cc6C)ccc5c5ccc(-c6c(C)cc(C)cc6C)cc54)c3c2)c(C)c1.[C-]#[N+]c1cc(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)cc1-c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is ACPUUBAJMYVSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H70N4.C74H66N4.C66H50N4/c1-48-32-52(5)81(53(6)33-48)62-24-28-75-68(40-62)69-41-63(82-54(7)34-49(2)35-55(82)8)25-29-76(69)87(75)79-46-67(66-44-72(60-20-16-14-17-21-60)86-73(45-66)61-22-18-15-19-23-61)74(85-13)47-80(79)88-77-30-26-64(83-56(9)36-50(3)37-57(83)10)42-70(77)71-43-65(27-31-78(71)88)84-58(11)38-51(4)39-59(84)12;1-40-23-44(5)71(45(6)24-40)54-15-19-60-61-20-16-55(72-46(7)25-41(2)26-47(72)8)34-66(61)77(65(60)33-54)69-37-59(39-75)64(58-31-52(13)76-53(14)32-58)38-70(69)78-67-35-56(73-48(9)27-42(3)28-49(73)10)17-21-62(67)63-22-18-57(36-68(63)78)74-50(11)29-43(4)30-51(74)12;1-40-30-42(3)65(43(4)31-40)48-26-28-61-54(34-48)51-22-14-16-24-59(51)69(61)63-38-53(50-36-56(46-18-10-8-11-19-46)68-57(37-50)47-20-12-9-13-21-47)58(67-7)39-64(63)70-60-25-17-15-23-52(60)55-35-49(27-29-62(55)70)66-44(5)32-41(2)33-45(66)6/h14-47H,1-12H3;15-38H,1-14H3;8-39H,1-6H3.
What are the key properties of 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole?
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 3046.04 g/mol, XLogP of 61.01, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 157072749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).