2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile

C205H122N16S — CID 158175031

IUPAC2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.N#Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C#N)c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6cc(C#N)ccc6n7-c6ccccc6)cc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C56H33N5.C50H28N4S.C50H30N4.C49H31N3/c1-58-41-22-28-56-50(34-41)49-33-40(21-27-55(49)61(56)44-15-9-4-10-16-44)39-20-26-54-48(32-39)47-31-38(19-25-53(47)60(54)43-13-7-3-8-14-43)37-18-24-52-46(30-37)45-29-36(35-57)17-23-51(45)59(52)42-11-5-2-6-12-42;1-52-36-17-21-48-42(29-36)41-26-33(14-20-47(41)54(48)38-10-6-3-7-11-38)35-16-23-50-44(28-35)43-27-34(15-22-49(43)55-50)32-13-19-46-40(25-32)39-24-31(30-51)12-18-45(39)53(46)37-8-4-2-5-9-37;51-31-33-25-37(36-21-24-50-46(30-36)44-16-8-10-18-48(44)54(50)41-13-5-2-6-14-41)28-38(26-33)42-22-19-34(27-39(42)32-52)35-20-23-49-45(29-35)43-15-7-9-17-47(43)53(49)40-11-3-1-4-12-40;50-32-33-27-38(29-39(28-33)37-24-26-49-45(31-37)43-16-8-10-18-47(43)52(49)41-13-5-2-6-14-41)35-21-19-34(20-22-35)36-23-25-48-44(30-36)42-15-7-9-17-46(42)51(48)40-11-3-1-4-12-40/h2-34H;2-29H;1-30H;1-31H
InChIKeyFXXBHHYWDNXZLO-UHFFFAOYSA-N
MW2841.41 g/mol
LogP54.12
Rot. Bonds19

About 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile

2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile (PubChem CID 158175031) has the molecular formula C205H122N16S and a molecular weight of 2841.41 g/mol. Its IUPAC name is 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
PubChem CID158175031
Molecular FormulaC205H122N16S
Molecular Weight2841.41 g/mol
Exact Mass2838.98
IUPAC Name2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.N#Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C#N)c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6cc(C#N)ccc6n7-c6ccccc6)cc5c4c3)ccc1n2-c1ccccc1
InChIInChI=1S/C56H33N5.C50H28N4S.C50H30N4.C49H31N3/c1-58-41-22-28-56-50(34-41)49-33-40(21-27-55(49)61(56)44-15-9-4-10-16-44)39-20-26-54-48(32-39)47-31-38(19-25-53(47)60(54)43-13-7-3-8-14-43)37-18-24-52-46(30-37)45-29-36(35-57)17-23-51(45)59(52)42-11-5-2-6-12-42;1-52-36-17-21-48-42(29-36)41-26-33(14-20-47(41)54(48)38-10-6-3-7-11-38)35-16-23-50-44(28-35)43-27-34(15-22-49(43)55-50)32-13-19-46-40(25-32)39-24-31(30-51)12-18-45(39)53(46)37-8-4-2-5-9-37;51-31-33-25-37(36-21-24-50-46(30-36)44-16-8-10-18-48(44)54(50)41-13-5-2-6-14-41)28-38(26-33)42-22-19-34(27-39(42)32-52)35-20-23-49-45(29-35)43-15-7-9-17-47(43)53(49)40-11-3-1-4-12-40;50-32-33-27-38(29-39(28-33)37-24-26-49-45(31-37)43-16-8-10-18-47(43)52(49)41-13-5-2-6-14-41)35-21-19-34(20-22-35)36-23-25-48-44(30-36)42-15-7-9-17-46(42)51(48)40-11-3-1-4-12-40/h2-34H;2-29H;1-30H;1-31H
InChIKeyFXXBHHYWDNXZLO-UHFFFAOYSA-N
XLogP54.12
TPSA172.04 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002841.41
LogP ≤ 554.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile with MolForge

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Related Compounds

6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
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2-(3,5-diphenylphenyl)-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;3-[6-[4-[7-(3-isocyano-5-phenylphenyl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-2-yl]-5-phenylbenzonitrile
CID 157208195
3-(3-isocyanocarbazol-9-yl)-4-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-9-yl)benzonitrile
CID 153462829
2-(3-carbazol-9-yl-5-cyanophenyl)-5-[2-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile
CID 155604960
9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)carbazole;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 158836336
9-[3-cyano-5-(3-dibenzothiophen-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 126761669
9-[3-(4-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile;9-[3-(2-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(3-cyanophenyl)-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 159419725
9-[4-[3-(2-carbazol-9-yl-4-isocyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155603738
9-[4-[3,5-bis(4-carbazol-9-yl-2-methylphenyl)phenyl]phenyl]carbazole;9-[4-[3,5-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-3,6-dimethylcarbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-(3,6-diisocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 159773784
9-[3-[3-(2-isocyano-11-phenylindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823063
2-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;3-carbazol-9-yl-6-isocyano-9-triphenylen-2-ylcarbazole;6-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile;7-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole-3-carbonitrile
CID 162155580

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile?
The IUPAC name of 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile (CID 158175031) is 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile is N#Cc1cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1.N#Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C#N)c1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(C#N)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)ccc1n2-c1ccccc1.[C-]#[N+]c1ccc2c(c1)c1cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6cc(C#N)ccc6n7-c6ccccc6)cc5c4c3)ccc1n2-c1ccccc1.
What is the InChIKey of 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile?
The InChIKey is FXXBHHYWDNXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5.C50H28N4S.C50H30N4.C49H31N3/c1-58-41-22-28-56-50(34-41)49-33-40(21-27-55(49)61(56)44-15-9-4-10-16-44)39-20-26-54-48(32-39)47-31-38(19-25-53(47)60(54)43-13-7-3-8-14-43)37-18-24-52-46(30-37)45-29-36(35-57)17-23-51(45)59(52)42-11-5-2-6-12-42;1-52-36-17-21-48-42(29-36)41-26-33(14-20-47(41)54(48)38-10-6-3-7-11-38)35-16-23-50-44(28-35)43-27-34(15-22-49(43)55-50)32-13-19-46-40(25-32)39-24-31(30-51)12-18-45(39)53(46)37-8-4-2-5-9-37;51-31-33-25-37(36-21-24-50-46(30-36)44-16-8-10-18-48(44)54(50)41-13-5-2-6-14-41)28-38(26-33)42-22-19-34(27-39(42)32-52)35-20-23-49-45(29-35)43-15-7-9-17-47(43)53(49)40-11-3-1-4-12-40;50-32-33-27-38(29-39(28-33)37-24-26-49-45(31-37)43-16-8-10-18-47(43)52(49)41-13-5-2-6-14-41)35-21-19-34(20-22-35)36-23-25-48-44(30-36)42-15-7-9-17-46(42)51(48)40-11-3-1-4-12-40/h2-34H;2-29H;1-30H;1-31H.
What are the key properties of 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile?
2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile has a molecular weight of 2841.41 g/mol, XLogP of 54.12, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-5-(9-phenylcarbazol-3-yl)phenyl]-5-(9-phenylcarbazol-3-yl)benzonitrile;6-[8-(6-isocyano-9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-phenylcarbazole-3-carbonitrile;6-[6-(6-isocyano-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-9-phenylcarbazole-3-carbonitrile;3-(9-phenylcarbazol-3-yl)-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzonitrile is sourced from PubChem (CID 158175031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).