9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole

C214H139N19 — CID 158292213

IUPAC9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C54H32N6.C54H38N4.C53H33N5.C53H36N4/c1-56-38-28-30-51-44(32-38)43-31-35(34-55)27-29-50(43)60(51)52-26-14-22-41(46-33-45(36-15-4-2-5-16-36)57-54(58-46)37-17-6-3-7-18-37)53(52)42-21-10-13-25-49(42)59-47-23-11-8-19-39(47)40-20-9-12-24-48(40)59;1-35-28-30-50-43(32-35)44-33-36(2)29-31-51(44)58(50)52-27-15-23-41(46-34-45(37-16-5-3-6-17-37)55-54(56-46)38-18-7-4-8-19-38)53(52)42-22-11-14-26-49(42)57-47-24-12-9-20-39(47)40-21-10-13-25-48(40)57;54-34-35-30-31-50-43(32-35)40-22-9-13-27-48(40)58(50)51-29-15-24-41(45-33-44(36-16-3-1-4-17-36)55-53(56-45)37-18-5-2-6-19-37)52(51)42-23-10-14-28-49(42)57-46-25-11-7-20-38(46)39-21-8-12-26-47(39)57;1-35-31-32-50-43(33-35)40-23-10-14-28-48(40)57(50)51-30-16-25-41(45-34-44(36-17-4-2-5-18-36)54-53(55-45)37-19-6-3-7-20-37)52(51)42-24-11-15-29-49(42)56-46-26-12-8-21-38(46)39-22-9-13-27-47(39)56/h2-33H;3-34H,1-2H3;1-33H;2-34H,1H3
InChIKeyGLMKLPUSVDHTEJ-UHFFFAOYSA-N
MW2976.60 g/mol
LogP54.57
Rot. Bonds24

About 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole

9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole (PubChem CID 158292213) has the molecular formula C214H139N19 and a molecular weight of 2976.60 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole
PubChem CID158292213
Molecular FormulaC214H139N19
Molecular Weight2976.60 g/mol
Exact Mass2974.15
IUPAC Name9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C54H32N6.C54H38N4.C53H33N5.C53H36N4/c1-56-38-28-30-51-44(32-38)43-31-35(34-55)27-29-50(43)60(51)52-26-14-22-41(46-33-45(36-15-4-2-5-16-36)57-54(58-46)37-17-6-3-7-18-37)53(52)42-21-10-13-25-49(42)59-47-23-11-8-19-39(47)40-20-9-12-24-48(40)59;1-35-28-30-50-43(32-35)44-33-36(2)29-31-51(44)58(50)52-27-15-23-41(46-34-45(37-16-5-3-6-17-37)55-54(56-46)38-18-7-4-8-19-38)53(52)42-22-11-14-26-49(42)57-47-24-12-9-20-39(47)40-21-10-13-25-48(40)57;54-34-35-30-31-50-43(32-35)40-22-9-13-27-48(40)58(50)51-29-15-24-41(45-33-44(36-16-3-1-4-17-36)55-53(56-45)37-18-5-2-6-19-37)52(51)42-23-10-14-28-49(42)57-46-25-11-7-20-38(46)39-21-8-12-26-47(39)57;1-35-31-32-50-43(33-35)40-23-10-14-28-48(40)57(50)51-30-16-25-41(45-34-44(36-17-4-2-5-18-36)54-53(55-45)37-19-6-3-7-20-37)52(51)42-24-11-15-29-49(42)56-46-26-12-8-21-38(46)39-22-9-13-27-47(39)56/h2-33H;3-34H,1-2H3;1-33H;2-34H,1H3
InChIKeyGLMKLPUSVDHTEJ-UHFFFAOYSA-N
XLogP54.57
TPSA194.50 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002976.60
LogP ≤ 554.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole with MolForge

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155463156
9-[2-[2-(3,6-diisocyanocarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 155761318
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-(3-isocyanocarbazol-9-yl)-6-methylphenyl]phenyl]carbazole-3-carbonitrile
CID 159808998
9-[4-(4-cyanophenyl)-2-[3-(3,6-diisocyanocarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 153432138
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-(trifluoromethyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 160667861
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile
CID 146652846
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 162500642
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile;9-[5-cyano-2-[2-(3,6-diisocyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[5-cyano-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 158525517
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 155462556
9-[2-(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-isocyanocarbazole
CID 155761350
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414575

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole?
The IUPAC name of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole (CID 158292213) is 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1ccccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1-c1ccccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole?
The InChIKey is GLMKLPUSVDHTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6.C54H38N4.C53H33N5.C53H36N4/c1-56-38-28-30-51-44(32-38)43-31-35(34-55)27-29-50(43)60(51)52-26-14-22-41(46-33-45(36-15-4-2-5-16-36)57-54(58-46)37-17-6-3-7-18-37)53(52)42-21-10-13-25-49(42)59-47-23-11-8-19-39(47)40-20-9-12-24-48(40)59;1-35-28-30-50-43(32-35)44-33-36(2)29-31-51(44)58(50)52-27-15-23-41(46-34-45(37-16-5-3-6-17-37)55-54(56-46)38-18-7-4-8-19-38)53(52)42-22-11-14-26-49(42)57-47-24-12-9-20-39(47)40-21-10-13-25-48(40)57;54-34-35-30-31-50-43(32-35)40-22-9-13-27-48(40)58(50)51-29-15-24-41(45-33-44(36-16-3-1-4-17-36)55-53(56-45)37-18-5-2-6-19-37)52(51)42-23-10-14-28-49(42)57-46-25-11-7-20-38(46)39-21-8-12-26-47(39)57;1-35-31-32-50-43(33-35)40-23-10-14-28-48(40)57(50)51-30-16-25-41(45-34-44(36-17-4-2-5-18-36)54-53(55-45)37-19-6-3-7-20-37)52(51)42-24-11-15-29-49(42)56-46-26-12-8-21-38(46)39-22-9-13-27-47(39)56/h2-33H;3-34H,1-2H3;1-33H;2-34H,1H3.
What are the key properties of 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole?
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole has a molecular weight of 2976.60 g/mol, XLogP of 54.57, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-dimethylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-isocyanocarbazole-3-carbonitrile;9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-methylcarbazole is sourced from PubChem (CID 158292213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).