3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione

C178H96N26O10 — CID 162152399

About 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione

3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione (PubChem CID 162152399) has the molecular formula C178H96N26O10 and a molecular weight of 2758.90 g/mol. Its IUPAC name is 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione
• PubChem CID: 162152399
• Molecular Formula: C178H96N26O10
• Molecular Weight: 2758.90 g/mol
• Exact Mass: 2756.78
• IUPAC Name: 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione
• SMILES: N#Cc1ccncc1-c1ccc2c(c1)c1cc(-c3cnccc3C#N)ccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O.N#Cc1ccncc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3)C4=O)c2c1.[C-]#[N+]c1ccncc1-c1ccc2c3ccc(-c4cnccc4C#N)cc3n(-c3cccc4c3C(=O)N(c3ccccc3)C4=O)c2c1.[C-]#[N+]c1ccncc1-c1cccc2c1c1c(-c3cnccc3C#N)cccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O.[C-]#[N+]c1ccncc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O
• InChI: InChI=1S/3C38H20N6O2.2C32H18N4O2/c1-40-30-17-19-42-22-29(30)26-11-6-14-32-35(26)34-25(28-21-41-18-16-23(28)20-39)10-5-13-31(34)44(32)33-15-7-12-27-36(33)38(46)43(37(27)45)24-8-3-2-4-9-24;1-40-32-15-17-42-22-31(32)24-11-13-28-27-12-10-23(30-21-41-16-14-25(30)20-39)18-34(27)44(35(28)19-24)33-9-5-8-29-36(33)38(46)43(37(29)45)26-6-3-2-4-7-26;39-19-25-13-15-41-21-31(25)23-9-11-33-29(17-23)30-18-24(32-22-42-16-14-26(32)20-40)10-12-34(30)44(33)35-8-4-7-28-36(35)38(46)43(37(28)45)27-5-2-1-3-6-27;1-33-25-17-18-34-19-24(25)21-12-7-15-27-29(21)22-11-5-6-14-26(22)36(27)28-16-8-13-23-30(28)32(38)35(31(23)37)20-9-3-2-4-10-20;33-18-21-15-16-34-19-26(21)20-13-14-24-23-9-4-5-11-27(23)36(29(24)17-20)28-12-6-10-25-30(28)32(38)35(31(25)37)22-7-2-1-3-8-22/h2*2-19,21-22H;1-18,21-22H;2-19H;1-17,19H
• InChIKey: ZLJQXKIVSRKYSK-UHFFFAOYSA-N
• XLogP: 37.43
• TPSA: 446.70 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2758.90
LogP ≤ 5	37.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione?

The IUPAC name of 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione (CID 162152399) is 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione.

What is the SMILES notation for 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione?

The canonical SMILES for 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione is N#Cc1ccncc1-c1ccc2c(c1)c1cc(-c3cnccc3C#N)ccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O.N#Cc1ccncc1-c1ccc2c3ccccc3n(-c3cccc4c3C(=O)N(c3ccccc3)C4=O)c2c1.[C-]#[N+]c1ccncc1-c1ccc2c3ccc(-c4cnccc4C#N)cc3n(-c3cccc4c3C(=O)N(c3ccccc3)C4=O)c2c1.[C-]#[N+]c1ccncc1-c1cccc2c1c1c(-c3cnccc3C#N)cccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O.[C-]#[N+]c1ccncc1-c1cccc2c1c1ccccc1n2-c1cccc2c1C(=O)N(c1ccccc1)C2=O.

What is the InChIKey of 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione?

The InChIKey is ZLJQXKIVSRKYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C38H20N6O2.2C32H18N4O2/c1-40-30-17-19-42-22-29(30)26-11-6-14-32-35(26)34-25(28-21-41-18-16-23(28)20-39)10-5-13-31(34)44(32)33-15-7-12-27-36(33)38(46)43(37(27)45)24-8-3-2-4-9-24;1-40-32-15-17-42-22-31(32)24-11-13-28-27-12-10-23(30-21-41-16-14-25(30)20-39)18-34(27)44(35(28)19-24)33-9-5-8-29-36(33)38(46)43(37(29)45)26-6-3-2-4-7-26;39-19-25-13-15-41-21-31(25)23-9-11-33-29(17-23)30-18-24(32-22-42-16-14-26(32)20-40)10-12-34(30)44(33)35-8-4-7-28-36(35)38(46)43(37(28)45)27-5-2-1-3-6-27;1-33-25-17-18-34-19-24(25)21-12-7-15-27-29(21)22-11-5-6-14-26(22)36(27)28-16-8-13-23-30(28)32(38)35(31(23)37)20-9-3-2-4-10-20;33-18-21-15-16-34-19-26(21)20-13-14-24-23-9-4-5-11-27(23)36(29(24)17-20)28-12-6-10-25-30(28)32(38)35(31(25)37)22-7-2-1-3-8-22/h2*2-19,21-22H;1-18,21-22H;2-19H;1-17,19H.

What are the key properties of 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione?

3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione has a molecular weight of 2758.90 g/mol, XLogP of 37.43, 18 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(4-cyano-3-pyridinyl)-9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-2-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-5-(4-isocyano-3-pyridinyl)carbazol-4-yl]pyridine-4-carbonitrile;3-[9-(1,3-dioxo-2-phenylisoindol-4-yl)-7-(4-isocyano-3-pyridinyl)carbazol-2-yl]pyridine-4-carbonitrile;4-[4-(4-isocyano-3-pyridinyl)carbazol-9-yl]-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 162152399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).