9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile

C190H103N21S — CID 161070419

IUPAC9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1cc(-c2cc(C#N)cc(-c3cccc(-c4ccccc4)c3)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2C#N)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3C#N)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/3C40H21N5.C39H22N4.C31H18N2S/c1-43-31-15-17-40-37(23-31)36-18-26(24-41)14-16-39(36)45(40)33-21-30(20-32(22-33)44-2)28-10-6-11-29(19-28)35-13-7-12-34(38(35)25-42)27-8-4-3-5-9-27;1-43-31-15-17-40-37(23-31)36-18-26(24-41)14-16-39(36)45(40)33-21-30(20-32(22-33)44-2)35-13-7-12-34(38(35)25-42)29-11-6-10-28(19-29)27-8-4-3-5-9-27;1-43-34-12-14-40-38(23-34)37-17-26(24-41)11-13-39(37)45(40)36-21-33(20-35(22-36)44-2)32-16-27(25-42)15-31(19-32)30-10-6-9-29(18-30)28-7-4-3-5-8-28;1-41-33-15-17-39-37(24-33)36-18-26(25-40)14-16-38(36)43(39)35-22-32(21-34(23-35)42-2)31-13-7-12-30(20-31)29-11-6-10-28(19-29)27-8-4-3-5-9-27;1-32-21-17-20(23-12-8-13-27-26-11-4-7-16-30(26)34-31(23)27)18-22(19-21)33-28-14-5-2-9-24(28)25-10-3-6-15-29(25)33/h3*3-23H;3-24H;2-19H
InChIKeyUEOSDEDSDANIPF-UHFFFAOYSA-N
MW2712.13 g/mol
LogP52.02
Rot. Bonds18

About 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile

9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile (PubChem CID 161070419) has the molecular formula C190H103N21S and a molecular weight of 2712.13 g/mol. Its IUPAC name is 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
PubChem CID161070419
Molecular FormulaC190H103N21S
Molecular Weight2712.13 g/mol
Exact Mass2709.84
IUPAC Name9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile
SMILES[C-]#[N+]c1cc(-c2cc(C#N)cc(-c3cccc(-c4ccccc4)c3)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2C#N)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3C#N)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/3C40H21N5.C39H22N4.C31H18N2S/c1-43-31-15-17-40-37(23-31)36-18-26(24-41)14-16-39(36)45(40)33-21-30(20-32(22-33)44-2)28-10-6-11-29(19-28)35-13-7-12-34(38(35)25-42)27-8-4-3-5-9-27;1-43-31-15-17-40-37(23-31)36-18-26(24-41)14-16-39(36)45(40)33-21-30(20-32(22-33)44-2)35-13-7-12-34(38(35)25-42)29-11-6-10-28(19-29)27-8-4-3-5-9-27;1-43-34-12-14-40-38(23-34)37-17-26(24-41)11-13-39(37)45(40)36-21-33(20-35(22-36)44-2)32-16-27(25-42)15-31(19-32)30-10-6-9-29(18-30)28-7-4-3-5-8-28;1-41-33-15-17-39-37(24-33)36-18-26(25-40)14-16-38(36)43(39)35-22-32(21-34(23-35)42-2)31-13-7-12-30(20-31)29-11-6-10-28(19-29)27-8-4-3-5-9-27;1-32-21-17-20(23-12-8-13-27-26-11-4-7-16-30(26)34-31(23)27)18-22(19-21)33-28-14-5-2-9-24(28)25-10-3-6-15-29(25)33/h3*3-23H;3-24H;2-19H
InChIKeyUEOSDEDSDANIPF-UHFFFAOYSA-N
XLogP52.02
TPSA230.42 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002712.13
LogP ≤ 552.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile with MolForge

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Related Compounds

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-dibenzofuran-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzofuran-4-yl-5-isocyanophenyl)-3-isocyanocarbazole;9-(3-dibenzothiophen-2-yl-5-isocyanophenyl)-3-isocyanocarbazole;2-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]-6-phenylbenzonitrile;3-[3-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]phenyl]benzonitrile
CID 158810751
3-dibenzothiophen-4-yl-6-[9-(4-isocyanophenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-isocyanophenyl)carbazol-3-yl]-6,9-diphenylcarbazole;9-(4-isocyanophenyl)-6-(9-phenylcarbazol-3-yl)pyrido[3,4-b]indole;3-[3-phenyl-5-[3-(9-phenylpyrido[3,4-b]indol-6-yl)carbazol-9-yl]phenyl]benzonitrile
CID 162259870
9-[3-cyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole-3,6-dicarbonitrile
CID 126761763
9-[3-[2-cyano-5-(3-isocyanocarbazol-9-yl)-3-phenylphenyl]phenyl]carbazole-3-carbonitrile
CID 140822491
2-(3-carbazol-9-yl-5-cyanophenyl)-4-(3,6-diisocyanocarbazol-9-yl)-6-phenylbenzonitrile
CID 140822606
9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole
CID 158665228
9-(3-dibenzothiophen-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 121298270
3-(2-carbazol-9-ylcarbazol-9-yl)-5-[3-isocyano-5-(3-isocyanocarbazol-9-yl)phenyl]benzonitrile;3-(2-carbazol-9-yl-6-isocyanocarbazol-9-yl)-5-(3-carbazol-9-yl-5-isocyanophenyl)benzonitrile;9-[9-[3-(3-carbazol-9-yl-5-isocyanophenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile;9-[9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-2-yl]carbazole-3-carbonitrile
CID 159502999
9-[3-[2-[3-(8-isocyano-[1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 140823139
3-[9-[4-dibenzothiophen-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzonitrile
CID 155628088
3-carbazol-9-yl-5-(8-phenyldibenzothiophen-4-yl)benzonitrile
CID 126761716

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile (CID 161070419) is 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile is [C-]#[N+]c1cc(-c2cc(C#N)cc(-c3cccc(-c4ccccc4)c3)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2C#N)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3cccc(-c4ccccc4)c3C#N)c2)cc(-n2c3ccc(C#N)cc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile?
The InChIKey is UEOSDEDSDANIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C40H21N5.C39H22N4.C31H18N2S/c1-43-31-15-17-40-37(23-31)36-18-26(24-41)14-16-39(36)45(40)33-21-30(20-32(22-33)44-2)28-10-6-11-29(19-28)35-13-7-12-34(38(35)25-42)27-8-4-3-5-9-27;1-43-31-15-17-40-37(23-31)36-18-26(24-41)14-16-39(36)45(40)33-21-30(20-32(22-33)44-2)35-13-7-12-34(38(35)25-42)29-11-6-10-28(19-29)27-8-4-3-5-9-27;1-43-34-12-14-40-38(23-34)37-17-26(24-41)11-13-39(37)45(40)36-21-33(20-35(22-36)44-2)32-16-27(25-42)15-31(19-32)30-10-6-9-29(18-30)28-7-4-3-5-8-28;1-41-33-15-17-39-37(24-33)36-18-26(25-40)14-16-38(36)43(39)35-22-32(21-34(23-35)42-2)31-13-7-12-30(20-31)29-11-6-10-28(19-29)27-8-4-3-5-9-27;1-32-21-17-20(23-12-8-13-27-26-11-4-7-16-30(26)34-31(23)27)18-22(19-21)33-28-14-5-2-9-24(28)25-10-3-6-15-29(25)33/h3*3-23H;3-24H;2-19H.
What are the key properties of 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile?
9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile has a molecular weight of 2712.13 g/mol, XLogP of 52.02, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2-cyano-3-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-(2-cyano-3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-[3-[3-cyano-5-(3-phenylphenyl)phenyl]-5-isocyanophenyl]-6-isocyanocarbazole-3-carbonitrile;9-(3-dibenzothiophen-4-yl-5-isocyanophenyl)carbazole;6-isocyano-9-[3-isocyano-5-[3-(3-phenylphenyl)phenyl]phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 161070419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).