3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile

C158H94N26 — CID 161096795

IUPAC3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)ccc2-c2nc(C)nc(C)n2)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)c1
InChIInChI=1S/2C41H24N6.2C38H23N7/c1-43-32-20-17-28(18-21-32)31-19-23-34-33-14-8-9-15-36(33)47(38(34)25-31)37-24-27(26-42)16-22-35(37)41-45-39(29-10-4-2-5-11-29)44-40(46-41)30-12-6-3-7-13-30;1-43-32-20-17-28(18-21-32)31-19-23-37-35(25-31)33-14-8-9-15-36(33)47(37)38-24-27(26-42)16-22-34(38)41-45-39(29-10-4-2-5-11-29)44-40(46-41)30-12-6-3-7-13-30;1-23-42-24(2)44-38(43-23)34-13-10-26(22-40)17-35(34)45-36-19-29(27-7-4-6-25(16-27)21-39)11-14-32(36)33-15-12-30(20-37(33)45)28-8-5-9-31(18-28)41-3;1-23-42-24(2)44-38(43-23)32-13-10-26(22-40)17-37(32)45-35-14-11-29(27-7-4-6-25(16-27)21-39)19-33(35)34-20-30(12-15-36(34)45)28-8-5-9-31(18-28)41-3/h2*2-25H;2*4-20H,1-2H3
InChIKeyUHXDFHFASHXJHP-UHFFFAOYSA-N
MW2356.67 g/mol
LogP37.88
Rot. Bonds18

About 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile

3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile (PubChem CID 161096795) has the molecular formula C158H94N26 and a molecular weight of 2356.67 g/mol. Its IUPAC name is 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
PubChem CID161096795
Molecular FormulaC158H94N26
Molecular Weight2356.67 g/mol
Exact Mass2354.82
IUPAC Name3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)ccc2-c2nc(C)nc(C)n2)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)c1
InChIInChI=1S/2C41H24N6.2C38H23N7/c1-43-32-20-17-28(18-21-32)31-19-23-34-33-14-8-9-15-36(33)47(38(34)25-31)37-24-27(26-42)16-22-35(37)41-45-39(29-10-4-2-5-11-29)44-40(46-41)30-12-6-3-7-13-30;1-43-32-20-17-28(18-21-32)31-19-23-37-35(25-31)33-14-8-9-15-36(33)47(37)38-24-27(26-42)16-22-34(38)41-45-39(29-10-4-2-5-11-29)44-40(46-41)30-12-6-3-7-13-30;1-23-42-24(2)44-38(43-23)34-13-10-26(22-40)17-35(34)45-36-19-29(27-7-4-6-25(16-27)21-39)11-14-32(36)33-15-12-30(20-37(33)45)28-8-5-9-31(18-28)41-3;1-23-42-24(2)44-38(43-23)32-13-10-26(22-40)17-37(32)45-35-14-11-29(27-7-4-6-25(16-27)21-39)19-33(35)34-20-30(12-15-36(34)45)28-8-5-9-31(18-28)41-3/h2*2-25H;2*4-20H,1-2H3
InChIKeyUHXDFHFASHXJHP-UHFFFAOYSA-N
XLogP37.88
TPSA334.58 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002356.67
LogP ≤ 537.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

4-[4-[4-[4-(3-isocyanophenyl)phenyl]-6-[4-(4-isocyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-3-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 169035845
3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 140871952
3-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 140871870
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-3-[3-(3-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 154603143
3-[3-(4-cyanophenyl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 154603045
3-[9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]-4-isocyanophenyl]carbazol-3-yl]benzonitrile
CID 154603006
4-[3-(3-cyanophenyl)carbazol-9-yl]-3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(3-isocyanophenyl)carbazol-9-yl]phenyl]benzonitrile
CID 154603260
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)benzonitrile
CID 134476139
3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3,5-bis[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile;3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;3-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)-5-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 159022948
3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476168
3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476167
2,6-bis[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;2-[2-(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-6-[2-(3-isocyanophenyl)carbazol-9-yl]benzonitrile;2-[3-(2-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,6-bis[2-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 158829725

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile (CID 161096795) is 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile is [C-]#[N+]c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)ccc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cc(C#N)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.[C-]#[N+]c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)ccc2-c2nc(C)nc(C)n2)c1.[C-]#[N+]c1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(C#N)ccc4-c4nc(C)nc(C)n4)c3c2)c1.
What is the InChIKey of 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile?
The InChIKey is UHXDFHFASHXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H24N6.2C38H23N7/c1-43-32-20-17-28(18-21-32)31-19-23-34-33-14-8-9-15-36(33)47(38(34)25-31)37-24-27(26-42)16-22-35(37)41-45-39(29-10-4-2-5-11-29)44-40(46-41)30-12-6-3-7-13-30;1-43-32-20-17-28(18-21-32)31-19-23-37-35(25-31)33-14-8-9-15-36(33)47(37)38-24-27(26-42)16-22-34(38)41-45-39(29-10-4-2-5-11-29)44-40(46-41)30-12-6-3-7-13-30;1-23-42-24(2)44-38(43-23)34-13-10-26(22-40)17-35(34)45-36-19-29(27-7-4-6-25(16-27)21-39)11-14-32(36)33-15-12-30(20-37(33)45)28-8-5-9-31(18-28)41-3;1-23-42-24(2)44-38(43-23)32-13-10-26(22-40)17-37(32)45-35-14-11-29(27-7-4-6-25(16-27)21-39)19-33(35)34-20-30(12-15-36(34)45)28-8-5-9-31(18-28)41-3/h2*2-25H;2*4-20H,1-2H3.
What are the key properties of 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile?
3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile has a molecular weight of 2356.67 g/mol, XLogP of 37.88, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 161096795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).