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

C201H111N21O12 — CID 158775176

About 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

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 (PubChem CID 158775176) has the molecular formula C201H111N21O12 and a molecular weight of 3012.23 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158775176
• Molecular Formula: C201H111N21O12
• Molecular Weight: 3012.23 g/mol
• Exact Mass: 3009.87
• IUPAC Name: 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
• SMILES: [C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1C(=O)N(c1ccccc1-c1ccccc1)C2=O.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1-c1ccccc1)C2=O.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2c1.[C-]#[N+]c1cccc2c3cccc(C#N)c3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c12.[C-]#[N+]c1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c12
• InChI: InChI=1S/3C34H18N4O2.3C33H19N3O2/c1-36-27-17-8-15-25-24-14-7-12-22(20-35)31(24)37(32(25)27)29-19-9-16-26-30(29)34(40)38(33(26)39)28-18-6-5-13-23(28)21-10-3-2-4-11-21;1-36-23-15-17-26-25-16-14-21(20-35)18-30(25)37(31(26)19-23)29-13-7-11-27-32(29)34(40)38(33(27)39)28-12-6-5-10-24(28)22-8-3-2-4-9-22;1-36-23-15-17-30-27(19-23)26-18-21(20-35)14-16-29(26)37(30)31-13-7-11-25-32(31)34(40)38(33(25)39)28-12-6-5-10-24(28)22-8-3-2-4-9-22;1-34-26-17-9-15-24-23-14-6-8-19-28(23)35(31(24)26)29-20-10-16-25-30(29)33(38)36(32(25)37)27-18-7-5-13-22(27)21-11-3-2-4-12-21;1-34-22-18-19-25-24-13-6-8-16-28(24)35(30(25)20-22)29-17-9-14-26-31(29)33(38)36(32(26)37)27-15-7-5-12-23(27)21-10-3-2-4-11-21;1-34-22-18-19-29-26(20-22)24-13-6-8-16-28(24)35(29)30-17-9-14-25-31(30)33(38)36(32(25)37)27-15-7-5-12-23(27)21-10-3-2-4-11-21/h3*2-19H;3*2-20H
• InChIKey: IQJQHVFFUKUYKH-UHFFFAOYSA-N
• XLogP: 46.43
• TPSA: 351.39 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3012.23
LogP ≤ 5	46.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is [C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1C(=O)N(c1ccccc1-c1ccccc1)C2=O.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1-c1ccccc1)C2=O.[C-]#[N+]c1ccc2c3ccc(C#N)cc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2c1.[C-]#[N+]c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c2c1.[C-]#[N+]c1cccc2c3cccc(C#N)c3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c12.[C-]#[N+]c1cccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3-c3ccccc3)C4=O)c12.

What is the InChIKey of 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?

The InChIKey is IQJQHVFFUKUYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C34H18N4O2.3C33H19N3O2/c1-36-27-17-8-15-25-24-14-7-12-22(20-35)31(24)37(32(25)27)29-19-9-16-26-30(29)34(40)38(33(26)39)28-18-6-5-13-23(28)21-10-3-2-4-11-21;1-36-23-15-17-26-25-16-14-21(20-35)18-30(25)37(31(26)19-23)29-13-7-11-27-32(29)34(40)38(33(27)39)28-12-6-5-10-24(28)22-8-3-2-4-9-22;1-36-23-15-17-30-27(19-23)26-18-21(20-35)14-16-29(26)37(30)31-13-7-11-25-32(31)34(40)38(33(25)39)28-12-6-5-10-24(28)22-8-3-2-4-9-22;1-34-26-17-9-15-24-23-14-6-8-19-28(23)35(31(24)26)29-20-10-16-25-30(29)33(38)36(32(25)37)27-18-7-5-13-22(27)21-11-3-2-4-12-21;1-34-22-18-19-25-24-13-6-8-16-28(24)35(30(25)20-22)29-17-9-14-26-31(29)33(38)36(32(26)37)27-15-7-5-12-23(27)21-10-3-2-4-11-21;1-34-22-18-19-29-26(20-22)24-13-6-8-16-28(24)35(29)30-17-9-14-25-31(30)33(38)36(32(25)37)27-15-7-5-12-23(27)21-10-3-2-4-11-21/h3*2-19H;3*2-20H.

What are the key properties of 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?

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 has a molecular weight of 3012.23 g/mol, XLogP of 46.43, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158775176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).