2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole

C227H139F3N22 — CID 161477407

IUPAC2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
SMILESN#Cc1cc(-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c(-c2c(C#N)cccc2C(F)(F)F)cc1-n1c2cc(-c3cccnc3-c3ccccc3)ccc2c2ccc(-c3cccnc3-c3ccccc3)cc21.[C-]#[N+]c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C83H49F3N8.C83H52N8.C61H38N6/c84-83(85,86)71-31-13-26-60(50-87)78(71)70-49-72(93-73-44-56(62-27-14-40-89-79(62)52-18-5-1-6-19-52)32-36-66(73)67-37-33-57(45-74(67)93)63-28-15-41-90-80(63)53-20-7-2-8-21-53)61(51-88)48-77(70)94-75-46-58(64-29-16-42-91-81(64)54-22-9-3-10-23-54)34-38-68(75)69-39-35-59(47-76(69)94)65-30-17-43-92-82(65)55-24-11-4-12-25-55;1-53-21-16-34-71(84-2)79(53)70-51-78(91-75-41-37-60(64-32-19-45-88-82(64)56-26-12-6-13-27-56)49-68(75)69-50-61(38-42-76(69)91)65-33-20-46-89-83(65)57-28-14-7-15-29-57)72(85-3)52-77(70)90-73-39-35-58(62-30-17-43-86-80(62)54-22-8-4-9-23-54)47-66(73)67-48-59(36-40-74(67)90)63-31-18-44-87-81(63)55-24-10-5-11-25-55;1-39-17-14-26-51(62-2)59(39)50-37-58(67-54-28-13-11-23-47(54)49-36-43(30-32-56(49)67)45-25-16-34-65-61(45)41-20-8-5-9-21-41)52(63-3)38-57(50)66-53-27-12-10-22-46(53)48-35-42(29-31-55(48)66)44-24-15-33-64-60(44)40-18-6-4-7-19-40/h1-49H;4-52H,1H3;4-38H,1H3
InChIKeyWDWXYZVAWDWVLM-UHFFFAOYSA-N
MW3231.76 g/mol
LogP59.52
Rot. Bonds29

About 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole

2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole (PubChem CID 161477407) has the molecular formula C227H139F3N22 and a molecular weight of 3231.76 g/mol. Its IUPAC name is 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
PubChem CID161477407
Molecular FormulaC227H139F3N22
Molecular Weight3231.76 g/mol
Exact Mass3229.15
IUPAC Name2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole
SMILESN#Cc1cc(-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c(-c2c(C#N)cccc2C(F)(F)F)cc1-n1c2cc(-c3cccnc3-c3ccccc3)ccc2c2ccc(-c3cccnc3-c3ccccc3)cc21.[C-]#[N+]c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21
InChIInChI=1S/C83H49F3N8.C83H52N8.C61H38N6/c84-83(85,86)71-31-13-26-60(50-87)78(71)70-49-72(93-73-44-56(62-27-14-40-89-79(62)52-18-5-1-6-19-52)32-36-66(73)67-37-33-57(45-74(67)93)63-28-15-41-90-80(63)53-20-7-2-8-21-53)61(51-88)48-77(70)94-75-46-58(64-29-16-42-91-81(64)54-22-9-3-10-23-54)34-38-68(75)69-39-35-59(47-76(69)94)65-30-17-43-92-82(65)55-24-11-4-12-25-55;1-53-21-16-34-71(84-2)79(53)70-51-78(91-75-41-37-60(64-32-19-45-88-82(64)56-26-12-6-13-27-56)49-68(75)69-50-61(38-42-76(69)91)65-33-20-46-89-83(65)57-28-14-7-15-29-57)72(85-3)52-77(70)90-73-39-35-58(62-30-17-43-86-80(62)54-22-8-4-9-23-54)47-66(73)67-48-59(36-40-74(67)90)63-31-18-44-87-81(63)55-24-10-5-11-25-55;1-39-17-14-26-51(62-2)59(39)50-37-58(67-54-28-13-11-23-47(54)49-36-43(30-32-56(49)67)45-25-16-34-65-61(45)41-20-8-5-9-21-41)52(63-3)38-57(50)66-53-27-12-10-22-46(53)48-35-42(29-31-55(48)66)44-24-15-33-64-60(44)40-18-6-4-7-19-40/h1-49H;4-52H,1H3;4-38H,1H3
InChIKeyWDWXYZVAWDWVLM-UHFFFAOYSA-N
XLogP59.52
TPSA223.50 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003231.76
LogP ≤ 559.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)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

2-[3-(2-cyanophenyl)carbazol-9-yl]-5-[3-(2-isocyanophenyl)carbazol-9-yl]-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile
CID 157125890
9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
CID 161477409
9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-isocyano-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole
CID 159423485
4-(2,3,4,5,6-pentafluorophenyl)-2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 154959931
4,5-bis[2,7-bis(2-isocyanophenyl)carbazol-9-yl]-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[9-[2-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-isocyano-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[5-isocyano-2-[2-(2-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-isocyano-2-[3-(3-isocyanophenyl)carbazol-9-yl]-4-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile;9-[4-isocyano-2-[2-(3-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-2-(3-isocyanophenyl)carbazole;9-[4-isocyano-2-[3-(2-isocyanophenyl)carbazol-9-yl]-5-[2-isocyano-6-(trifluoromethyl)phenyl]phenyl]-3-(2-isocyanophenyl)carbazole
CID 160887427
4-[2,6-bis(trifluoromethyl)phenyl]-2-[3-(4-methylphenyl)carbazol-9-yl]-5-(3-phenylcarbazol-9-yl)benzonitrile
CID 146519822
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
2,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137382087
2,5-bis[2-(2-methylphenyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386425
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386784
2,5-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
CID 137381430
2,5-bis(2-methylcarbazol-9-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-methyl-9-[4-(2-methylcarbazol-9-yl)-2-[2-methyl-6-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 161271850

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole (CID 161477407) is 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole is N#Cc1cc(-n2c3cc(-c4cccnc4-c4ccccc4)ccc3c3ccc(-c4cccnc4-c4ccccc4)cc32)c(-c2c(C#N)cccc2C(F)(F)F)cc1-n1c2cc(-c3cccnc3-c3ccccc3)ccc2c2ccc(-c3cccnc3-c3ccccc3)cc21.[C-]#[N+]c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cccnc3-c3ccccc3)ccc21.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(-c2c(C)cccc2[N+]#[C-])cc1-n1c2ccccc2c2cc(-c3cccnc3-c3ccccc3)ccc21.
What is the InChIKey of 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
The InChIKey is WDWXYZVAWDWVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H49F3N8.C83H52N8.C61H38N6/c84-83(85,86)71-31-13-26-60(50-87)78(71)70-49-72(93-73-44-56(62-27-14-40-89-79(62)52-18-5-1-6-19-52)32-36-66(73)67-37-33-57(45-74(67)93)63-28-15-41-90-80(63)53-20-7-2-8-21-53)61(51-88)48-77(70)94-75-46-58(64-29-16-42-91-81(64)54-22-9-3-10-23-54)34-38-68(75)69-39-35-59(47-76(69)94)65-30-17-43-92-82(65)55-24-11-4-12-25-55;1-53-21-16-34-71(84-2)79(53)70-51-78(91-75-41-37-60(64-32-19-45-88-82(64)56-26-12-6-13-27-56)49-68(75)69-50-61(38-42-76(69)91)65-33-20-46-89-83(65)57-28-14-7-15-29-57)72(85-3)52-77(70)90-73-39-35-58(62-30-17-43-86-80(62)54-22-8-4-9-23-54)47-66(73)67-48-59(36-40-74(67)90)63-31-18-44-87-81(63)55-24-10-5-11-25-55;1-39-17-14-26-51(62-2)59(39)50-37-58(67-54-28-13-11-23-47(54)49-36-43(30-32-56(49)67)45-25-16-34-65-61(45)41-20-8-5-9-21-41)52(63-3)38-57(50)66-53-27-12-10-22-46(53)48-35-42(29-31-55(48)66)44-24-15-33-64-60(44)40-18-6-4-7-19-40/h1-49H;4-52H,1H3;4-38H,1H3.
What are the key properties of 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole?
2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole has a molecular weight of 3231.76 g/mol, XLogP of 59.52, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;9-[4-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-isocyano-5-(2-isocyano-6-methylphenyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;9-[2-isocyano-5-(2-isocyano-6-methylphenyl)-4-[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(2-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 161477407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).