2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide

C157H94N15Pt4-3 — CID 159726041

About 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide

2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide (PubChem CID 159726041) has the molecular formula C157H94N15Pt4-3 and a molecular weight of 2970.90 g/mol. Its IUPAC name is 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide.

Molecular Properties

• Compound Name: 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide
• PubChem CID: 159726041
• Molecular Formula: C157H94N15Pt4-3
• Molecular Weight: 2970.90 g/mol
• Exact Mass: 2968.64
• IUPAC Name: 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide
• SMILES: [Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2cc3ccccc3cn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2.[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2.[c-]1c(-c2nccc3ccccc23)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2.[c-]1ccccc1-n1c2[c-]c(N3c4[c-]c(-c5ccc6ccccc6n5)ccc4C=Cc4ccccc43)ccc2c2ccccc21
• InChI: InChI=1S/C41H24N3.2C40H24N4.C36H22N4.4Pt/c1-2-12-32(13-3-1)43-39-17-9-6-14-34(39)35-24-23-33(27-41(35)43)44-38-16-8-5-11-29(38)18-19-30-20-21-31(26-40(30)44)37-25-22-28-10-4-7-15-36(28)42-37;1-3-11-32-27(9-1)22-24-42-40(32)30-19-18-29-17-16-28-10-2-5-13-35(28)43(37(29)25-30)31-20-21-34-33-12-4-6-14-36(33)44(38(34)26-31)39-15-7-8-23-41-39;1-2-11-31-26-42-35(23-29(31)10-1)30-19-18-28-17-16-27-9-3-5-13-36(27)43(38(28)24-30)32-20-21-34-33-12-4-6-14-37(33)44(39(34)25-32)40-15-7-8-22-41-40;1-3-12-32-25(9-1)15-16-26-17-18-27(31-11-5-7-21-37-31)23-34(26)39(32)28-19-20-30-29-10-2-4-13-33(29)40(35(30)24-28)36-14-6-8-22-38-36;;;;/h1-12,14-25H;1-24H;1-23,26H;1-22H;;;;/q-3;3*-2;;3*+2
• InChIKey: LXXKMOWRHHUSLI-UHFFFAOYSA-N
• XLogP: 39.03
• TPSA: 122.91 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2970.90
LogP ≤ 5	39.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide?

The IUPAC name of 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide (CID 159726041) is 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide.

What is the SMILES notation for 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide?

The canonical SMILES for 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide is [Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2cc3ccccc3cn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2.[c-]1c(-c2ccccn2)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2.[c-]1c(-c2nccc3ccccc23)ccc2c1N(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1ccccc1C=C2.[c-]1ccccc1-n1c2[c-]c(N3c4[c-]c(-c5ccc6ccccc6n5)ccc4C=Cc4ccccc43)ccc2c2ccccc21.

What is the InChIKey of 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide?

The InChIKey is LXXKMOWRHHUSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N3.2C40H24N4.C36H22N4.4Pt/c1-2-12-32(13-3-1)43-39-17-9-6-14-34(39)35-24-23-33(27-41(35)43)44-38-16-8-5-11-29(38)18-19-30-20-21-31(26-40(30)44)37-25-22-28-10-4-7-15-36(28)42-37;1-3-11-32-27(9-1)22-24-42-40(32)30-19-18-29-17-16-28-10-2-5-13-35(28)43(37(29)25-30)31-20-21-34-33-12-4-6-14-36(33)44(38(34)26-31)39-15-7-8-23-41-39;1-2-11-31-26-42-35(23-29(31)10-1)30-19-18-28-17-16-27-9-3-5-13-36(27)43(38(28)24-30)32-20-21-34-33-12-4-6-14-37(33)44(39(34)25-32)40-15-7-8-22-41-40;1-3-12-32-25(9-1)15-16-26-17-18-27(31-11-5-7-21-37-31)23-34(26)39(32)28-19-20-30-29-10-2-4-13-33(29)40(35(30)24-28)36-14-6-8-22-38-36;;;;/h1-12,14-25H;1-24H;1-23,26H;1-22H;;;;/q-3;3*-2;;3*+2.

What are the key properties of 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide?

2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide has a molecular weight of 2970.90 g/mol, XLogP of 39.03, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide is sourced from PubChem (CID 159726041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).