2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile

C219H126N24 — CID 159647613

IUPAC2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3C#N)nc(-c3ccc(C#N)cc3)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)ccc1-c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/3C73H42N8/c1-76-66-40-53(65-43-64(51-22-18-46(44-74)19-23-51)77-73(78-65)52-24-20-47(45-75)21-25-52)32-37-57(66)50-28-26-48(27-29-50)49-30-33-54(34-31-49)79-71-38-35-55(80-67-14-6-2-10-58(67)59-11-3-7-15-68(59)80)41-62(71)63-42-56(36-39-72(63)79)81-69-16-8-4-12-60(69)61-13-5-9-17-70(61)81;74-43-46-17-21-50(22-18-46)65-42-66(78-73(77-65)52-23-19-47(44-75)20-24-52)51-27-25-49(26-28-51)58-36-31-53(39-54(58)45-76)48-29-32-55(33-30-48)79-71-37-34-56(80-67-13-5-1-9-59(67)60-10-2-6-14-68(60)80)40-63(71)64-41-57(35-38-72(64)79)81-69-15-7-3-11-61(69)62-12-4-8-16-70(62)81;74-43-46-17-21-51(22-18-46)65-42-66(78-73(77-65)52-23-19-47(44-75)20-24-52)58-36-31-53(39-54(58)45-76)50-27-25-48(26-28-50)49-29-32-55(33-30-49)79-71-37-34-56(80-67-13-5-1-9-59(67)60-10-2-6-14-68(60)80)40-63(71)64-41-57(35-38-72(64)79)81-69-15-7-3-11-61(69)62-12-4-8-16-70(62)81/h2-43H;2*1-42H
InChIKeyMRDOWXWALMDLDL-UHFFFAOYSA-N
MW3093.58 g/mol
LogP53.83
Rot. Bonds24

About 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile

2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile (PubChem CID 159647613) has the molecular formula C219H126N24 and a molecular weight of 3093.58 g/mol. Its IUPAC name is 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile
PubChem CID159647613
Molecular FormulaC219H126N24
Molecular Weight3093.58 g/mol
Exact Mass3091.06
IUPAC Name2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3C#N)nc(-c3ccc(C#N)cc3)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)ccc1-c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1
InChIInChI=1S/3C73H42N8/c1-76-66-40-53(65-43-64(51-22-18-46(44-74)19-23-51)77-73(78-65)52-24-20-47(45-75)21-25-52)32-37-57(66)50-28-26-48(27-29-50)49-30-33-54(34-31-49)79-71-38-35-55(80-67-14-6-2-10-58(67)59-11-3-7-15-68(59)80)41-62(71)63-42-56(36-39-72(63)79)81-69-16-8-4-12-60(69)61-13-5-9-17-70(61)81;74-43-46-17-21-50(22-18-46)65-42-66(78-73(77-65)52-23-19-47(44-75)20-24-52)51-27-25-49(26-28-51)58-36-31-53(39-54(58)45-76)48-29-32-55(33-30-48)79-71-37-34-56(80-67-13-5-1-9-59(67)60-10-2-6-14-68(60)80)40-63(71)64-41-57(35-38-72(64)79)81-69-15-7-3-11-61(69)62-12-4-8-16-70(62)81;74-43-46-17-21-51(22-18-46)65-42-66(78-73(77-65)52-23-19-47(44-75)20-24-52)58-36-31-53(39-54(58)45-76)50-27-25-48(26-28-50)49-29-32-55(33-30-49)79-71-37-34-56(80-67-13-5-1-9-59(67)60-10-2-6-14-68(60)80)40-63(71)64-41-57(35-38-72(64)79)81-69-15-7-3-11-61(69)62-12-4-8-16-70(62)81/h2-43H;2*1-42H
InChIKeyMRDOWXWALMDLDL-UHFFFAOYSA-N
XLogP53.83
TPSA316.39 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003093.58
LogP ≤ 553.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile with MolForge

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Related Compounds

2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-4-isocyanobenzonitrile
CID 140779326
2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile
CID 126730086
4-[6-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-3-isocyanophenyl]-2-(4-cyanophenyl)pyrimidin-4-yl]benzonitrile;5-[4-[3-(3,6-diisocyanocarbazol-9-yl)carbazol-9-yl]phenyl]-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzonitrile;9-[9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-isocyanophenyl]phenyl]carbazol-3-yl]-3-isocyano-6-methylcarbazole
CID 159125835
2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-isocyanobenzonitrile
CID 140779404
2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-isocyanobenzonitrile
CID 140779371
9-[6-carbazol-9-yl-9-[4-[4-[2-cyano-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734537
9-[9-[4-[4-[3-cyano-4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734716
9-[6-(3-cyanocarbazol-9-yl)-9-[4-[3-cyano-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 126734523
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile;5-(3-carbazol-9-ylcarbazol-9-yl)-2-(2,6-diphenylpyrimidin-4-yl)-4-isocyanobenzonitrile;4-[6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(4-cyanophenyl)pyrimidin-4-yl]benzonitrile;3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-isocyanophenyl]carbazole;3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 158189610
3,6-di(carbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole
CID 140779361
5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 126730529
9-[4-[2,6-bis(2-isocyanophenyl)pyrimidin-4-yl]phenyl]-3,6-di(carbazol-9-yl)carbazole;4-[2-(4-cyanophenyl)-6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 162194032

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile (CID 159647613) is 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile is N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4)cc3C#N)nc(-c3ccc(C#N)cc3)n2)cc1.N#Cc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc(-n6c7ccc(-n8c9ccccc9c9ccccc98)cc7c7cc(-n8c9ccccc9c9ccccc98)ccc76)cc5)cc4C#N)cc3)nc(-c3ccc(C#N)cc3)n2)cc1.[C-]#[N+]c1cc(-c2cc(-c3ccc(C#N)cc3)nc(-c3ccc(C#N)cc3)n2)ccc1-c1ccc(-c2ccc(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2)cc1.
What is the InChIKey of 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile?
The InChIKey is MRDOWXWALMDLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C73H42N8/c1-76-66-40-53(65-43-64(51-22-18-46(44-74)19-23-51)77-73(78-65)52-24-20-47(45-75)21-25-52)32-37-57(66)50-28-26-48(27-29-50)49-30-33-54(34-31-49)79-71-38-35-55(80-67-14-6-2-10-58(67)59-11-3-7-15-68(59)80)41-62(71)63-42-56(36-39-72(63)79)81-69-16-8-4-12-60(69)61-13-5-9-17-70(61)81;74-43-46-17-21-50(22-18-46)65-42-66(78-73(77-65)52-23-19-47(44-75)20-24-52)51-27-25-49(26-28-51)58-36-31-53(39-54(58)45-76)48-29-32-55(33-30-48)79-71-37-34-56(80-67-13-5-1-9-59(67)60-10-2-6-14-68(60)80)40-63(71)64-41-57(35-38-72(64)79)81-69-15-7-3-11-61(69)62-12-4-8-16-70(62)81;74-43-46-17-21-51(22-18-46)65-42-66(78-73(77-65)52-23-19-47(44-75)20-24-52)58-36-31-53(39-54(58)45-76)50-27-25-48(26-28-50)49-29-32-55(33-30-49)79-71-37-34-56(80-67-13-5-1-9-59(67)60-10-2-6-14-68(60)80)40-63(71)64-41-57(35-38-72(64)79)81-69-15-7-3-11-61(69)62-12-4-8-16-70(62)81/h2-43H;2*1-42H.
What are the key properties of 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile?
2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile has a molecular weight of 3093.58 g/mol, XLogP of 53.83, 24 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]-5-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile;2-[4-[2,6-bis(4-cyanophenyl)pyrimidin-4-yl]phenyl]-5-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]benzonitrile;4-[2-(4-cyanophenyl)-6-[4-[4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-3-isocyanophenyl]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 159647613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).