3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole

C239H154N18 — CID 157464609

IUPAC3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C64H41N5.C64H42N4.C58H38N4.C53H33N5/c1-3-19-42(20-4-1)54-41-55(66-64(65-54)43-21-5-2-6-22-43)44-35-37-62(52(39-44)50-27-11-17-33-60(50)68-58-31-15-9-25-48(58)49-26-10-16-32-59(49)68)69-61-34-18-12-28-51(61)53-40-45(36-38-63(53)69)67-56-29-13-7-23-46(56)47-24-8-14-30-57(47)67;1-5-19-43(20-6-1)47-33-36-62-54(39-47)55-40-48(44-21-7-2-8-22-44)34-37-63(55)68(62)61-38-35-49(57-42-56(45-23-9-3-10-24-45)65-64(66-57)46-25-11-4-12-26-46)41-53(61)52-29-15-18-32-60(52)67-58-30-16-13-27-50(58)51-28-14-17-31-59(51)67;1-4-18-39(19-5-1)42-32-34-56-48(36-42)46-26-12-17-31-55(46)62(56)57-35-33-43(51-38-50(40-20-6-2-7-21-40)59-58(60-51)41-22-8-3-9-23-41)37-49(57)47-27-13-16-30-54(47)61-52-28-14-10-24-44(52)45-25-11-15-29-53(45)61;1-54-38-29-31-52-44(33-38)42-23-11-15-27-50(42)58(52)51-30-28-37(46-34-45(35-16-4-2-5-17-35)55-53(56-46)36-18-6-3-7-19-36)32-43(51)41-22-10-14-26-49(41)57-47-24-12-8-20-39(47)40-21-9-13-25-48(40)57/h1-41H;1-42H;1-38H;2-34H
InChIKeyBUHZLXAYEDAMPE-UHFFFAOYSA-N
MW3277.99 g/mol
LogP62.00
Rot. Bonds28

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

3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole (PubChem CID 157464609) has the molecular formula C239H154N18 and a molecular weight of 3277.99 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole
PubChem CID157464609
Molecular FormulaC239H154N18
Molecular Weight3277.99 g/mol
Exact Mass3275.26
IUPAC Name3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole
SMILES[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C64H41N5.C64H42N4.C58H38N4.C53H33N5/c1-3-19-42(20-4-1)54-41-55(66-64(65-54)43-21-5-2-6-22-43)44-35-37-62(52(39-44)50-27-11-17-33-60(50)68-58-31-15-9-25-48(58)49-26-10-16-32-59(49)68)69-61-34-18-12-28-51(61)53-40-45(36-38-63(53)69)67-56-29-13-7-23-46(56)47-24-8-14-30-57(47)67;1-5-19-43(20-6-1)47-33-36-62-54(39-47)55-40-48(44-21-7-2-8-22-44)34-37-63(55)68(62)61-38-35-49(57-42-56(45-23-9-3-10-24-45)65-64(66-57)46-25-11-4-12-26-46)41-53(61)52-29-15-18-32-60(52)67-58-30-16-13-27-50(58)51-28-14-17-31-59(51)67;1-4-18-39(19-5-1)42-32-34-56-48(36-42)46-26-12-17-31-55(46)62(56)57-35-33-43(51-38-50(40-20-6-2-7-21-40)59-58(60-51)41-22-8-3-9-23-41)37-49(57)47-27-13-16-30-54(47)61-52-28-14-10-24-44(52)45-25-11-15-29-53(45)61;1-54-38-29-31-52-44(33-38)42-23-11-15-27-50(42)58(52)51-30-28-37(46-34-45(35-16-4-2-5-17-35)55-53(56-46)36-18-6-3-7-19-36)32-43(51)41-22-10-14-26-49(41)57-47-24-12-8-20-39(47)40-21-9-13-25-48(40)57/h1-41H;1-42H;1-38H;2-34H
InChIKeyBUHZLXAYEDAMPE-UHFFFAOYSA-N
XLogP62.00
TPSA151.85 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms257
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003277.99
LogP ≤ 562.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole 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

9-[2-(2-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-isocyanocarbazole
CID 155761350
3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole
CID 154602990
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000
9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2,4-diisocyanophenyl)carbazole
CID 155761293
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
5-[3-carbazol-9-yl-6-(3,6-diisocyanocarbazol-9-yl)carbazol-9-yl]-2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 140779506
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-isocyanophenyl]carbazole
CID 170664788
3-carbazol-9-yl-9-[4-[4-[2-(3-isocyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 140779250
9-[3-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-diphenylcarbazole
CID 162573706
3,6-di(carbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole
CID 140779361
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(2-methylphenyl)carbazole
CID 155463281

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole?
The IUPAC name of 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole (CID 157464609) is 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole is [C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccccc1-n1c2ccccc2c2ccccc21.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2ccccc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole?
The InChIKey is BUHZLXAYEDAMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5.C64H42N4.C58H38N4.C53H33N5/c1-3-19-42(20-4-1)54-41-55(66-64(65-54)43-21-5-2-6-22-43)44-35-37-62(52(39-44)50-27-11-17-33-60(50)68-58-31-15-9-25-48(58)49-26-10-16-32-59(49)68)69-61-34-18-12-28-51(61)53-40-45(36-38-63(53)69)67-56-29-13-7-23-46(56)47-24-8-14-30-57(47)67;1-5-19-43(20-6-1)47-33-36-62-54(39-47)55-40-48(44-21-7-2-8-22-44)34-37-63(55)68(62)61-38-35-49(57-42-56(45-23-9-3-10-24-45)65-64(66-57)46-25-11-4-12-26-46)41-53(61)52-29-15-18-32-60(52)67-58-30-16-13-27-50(58)51-28-14-17-31-59(51)67;1-4-18-39(19-5-1)42-32-34-56-48(36-42)46-26-12-17-31-55(46)62(56)57-35-33-43(51-38-50(40-20-6-2-7-21-40)59-58(60-51)41-22-8-3-9-23-41)37-49(57)47-27-13-16-30-54(47)61-52-28-14-10-24-44(52)45-25-11-15-29-53(45)61;1-54-38-29-31-52-44(33-38)42-23-11-15-27-50(42)58(52)51-30-28-37(46-34-45(35-16-4-2-5-17-35)55-53(56-46)36-18-6-3-7-19-36)32-43(51)41-22-10-14-26-49(41)57-47-24-12-8-20-39(47)40-21-9-13-25-48(40)57/h1-41H;1-42H;1-38H;2-34H.
What are the key properties of 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole?
3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole has a molecular weight of 3277.99 g/mol, XLogP of 62.00, 28 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-diphenylcarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-isocyanocarbazole;9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 157464609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).