4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile

C128H68N14O6 — CID 159756357

IUPAC4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2cccc3c4cccc(-c5ccc(C#N)cc5C#N)c4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1.[C-]#[N+]c1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1
InChIInChI=1S/C48H24N6O2.2C40H22N4O2/c1-51-32-22-24-35(41(26-32)52-2)37-15-9-17-39-38-16-8-14-36(33-23-21-29(27-49)25-31(33)28-50)45(38)53(46(37)39)43-20-10-18-40-44(43)48(56)54(47(40)55)42-19-7-6-13-34(42)30-11-4-3-5-12-30;1-41-26-22-23-28(33(24-26)42-2)30-16-10-17-31-29-15-7-9-20-35(29)43(38(30)31)36-21-11-18-32-37(36)40(46)44(39(32)45)34-19-8-6-14-27(34)25-12-4-3-5-13-25;1-42-28-19-21-29(27(22-28)24-41)26-18-20-32-31-13-6-8-16-35(31)43(37(32)23-26)36-17-9-14-33-38(36)40(46)44(39(33)45)34-15-7-5-12-30(34)25-10-3-2-4-11-25/h3-26H;3-24H;2-23H
InChIKeyNEHUCUQFFUDQPI-UHFFFAOYSA-N
MW1898.04 g/mol
LogP30.79
Rot. Bonds13

About 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile

4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile (PubChem CID 159756357) has the molecular formula C128H68N14O6 and a molecular weight of 1898.04 g/mol. Its IUPAC name is 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile.

Molecular Properties

Compound Name4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
PubChem CID159756357
Molecular FormulaC128H68N14O6
Molecular Weight1898.04 g/mol
Exact Mass1896.54
IUPAC Name4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
SMILES[C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2cccc3c4cccc(-c5ccc(C#N)cc5C#N)c4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1.[C-]#[N+]c1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1
InChIInChI=1S/C48H24N6O2.2C40H22N4O2/c1-51-32-22-24-35(41(26-32)52-2)37-15-9-17-39-38-16-8-14-36(33-23-21-29(27-49)25-31(33)28-50)45(38)53(46(37)39)43-20-10-18-40-44(43)48(56)54(47(40)55)42-19-7-6-13-34(42)30-11-4-3-5-12-30;1-41-26-22-23-28(33(24-26)42-2)30-16-10-17-31-29-15-7-9-20-35(29)43(38(30)31)36-21-11-18-32-37(36)40(46)44(39(32)45)34-19-8-6-14-27(34)25-12-4-3-5-13-25;1-42-28-19-21-29(27(22-28)24-41)26-18-20-32-31-13-6-8-16-35(31)43(37(32)23-26)36-17-9-14-33-38(36)40(46)44(39(33)45)34-15-7-5-12-30(34)25-10-3-2-4-11-25/h3-26H;3-24H;2-23H
InChIKeyNEHUCUQFFUDQPI-UHFFFAOYSA-N
XLogP30.79
TPSA220.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001898.04
LogP ≤ 530.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile with MolForge

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Related Compounds

4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,4-diphenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[2-(2,4-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile
CID 158959616
9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]-6-isocyanocarbazole-3-carbonitrile;9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]-7-isocyanocarbazole-2-carbonitrile;9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]-8-isocyanocarbazole-1-carbonitrile;4-(1-isocyanocarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(2-isocyanocarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione;4-(3-isocyanocarbazol-9-yl)-2-(2-phenylphenyl)isoindole-1,3-dione
CID 158775176
4-[9-[2-(2,6-diphenylphenyl)-1,3-dioxoisoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234676
4-[6-(2-cyano-4-isocyanophenyl)-9-[1,3-dioxo-2-(3-phenylphenyl)isoindol-4-yl]carbazol-3-yl]-3-isocyanobenzonitrile
CID 160533574
4-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2,5-diphenylphenyl)isoindole-1,3-dione
CID 161410544
4-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzonitrile
CID 134234366
5-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134240962
3-[8-(3-cyano-5-isocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]-5-isocyanobenzonitrile
CID 157139884
2-(2,4-diphenylphenyl)-4-[2-(4-isocyanophenyl)carbazol-9-yl]isoindole-1,3-dione
CID 158329082
4-[9-[4-(3-cyanophenyl)-5-[3-(2,4-diisocyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153486616
4-[9-[5-[2-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)-2-pyridinyl]carbazol-2-yl]-3-isocyanobenzonitrile
CID 153486534
4-[9-[4-(2-carbazol-9-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-cyano-4-isocyanophenyl)carbazol-3-yl]-3-isocyanobenzonitrile
CID 155636724

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile?
The IUPAC name of 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile (CID 159756357) is 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile.
What is the SMILES notation for 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile?
The canonical SMILES for 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile is [C-]#[N+]c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c3c2)c(C#N)c1.[C-]#[N+]c1ccc(-c2cccc3c4cccc(-c5ccc(C#N)cc5C#N)c4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1.[C-]#[N+]c1ccc(-c2cccc3c4ccccc4n(-c4cccc5c4C(=O)N(c4ccccc4-c4ccccc4)C5=O)c23)c([N+]#[C-])c1.
What is the InChIKey of 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile?
The InChIKey is NEHUCUQFFUDQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H24N6O2.2C40H22N4O2/c1-51-32-22-24-35(41(26-32)52-2)37-15-9-17-39-38-16-8-14-36(33-23-21-29(27-49)25-31(33)28-50)45(38)53(46(37)39)43-20-10-18-40-44(43)48(56)54(47(40)55)42-19-7-6-13-34(42)30-11-4-3-5-12-30;1-41-26-22-23-28(33(24-26)42-2)30-16-10-17-31-29-15-7-9-20-35(29)43(38(30)31)36-21-11-18-32-37(36)40(46)44(39(32)45)34-19-8-6-14-27(34)25-12-4-3-5-13-25;1-42-28-19-21-29(27(22-28)24-41)26-18-20-32-31-13-6-8-16-35(31)43(37(32)23-26)36-17-9-14-33-38(36)40(46)44(39(33)45)34-15-7-5-12-30(34)25-10-3-2-4-11-25/h3-26H;3-24H;2-23H.
What are the key properties of 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile?
4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile has a molecular weight of 1898.04 g/mol, XLogP of 30.79, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-diisocyanophenyl)carbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione;4-[8-(2,4-diisocyanophenyl)-9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-1-yl]benzene-1,3-dicarbonitrile;2-[9-[1,3-dioxo-2-(2-phenylphenyl)isoindol-4-yl]carbazol-2-yl]-5-isocyanobenzonitrile is sourced from PubChem (CID 159756357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).