ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide

C142H156N12OPt3 — CID 160952705

About ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide

ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide (PubChem CID 160952705) has the molecular formula C142H156N12OPt3 and a molecular weight of 2632.13 g/mol. Its IUPAC name is ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide.

Molecular Properties

• Compound Name: ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide
• PubChem CID: 160952705
• Molecular Formula: C142H156N12OPt3
• Molecular Weight: 2632.13 g/mol
• Exact Mass: 2630.15
• IUPAC Name: ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide
• SMILES: C1=Cc2cccc(-c3cccc4c3[N-]c3c(cccc3-c3ccccn3)C=C4)c2[N-]c2c1cccc2-c1ccccn1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2cccc3c2[N-]c2c(cccc2-c2ccccn2)C=C3)ccc2c1N(c1ccccn1)c1ccccc1C=C2.[c-]1c(Oc2ccccn2)ccc2c1N(c1cccc3c1[N-]c1c(cccc1-c1ccccn1)C=C3)c1ccccc1C=C2
• InChI: InChI=1S/C38H24N4O.2C38H24N4.14C2H6.3Pt/c1-2-14-33-26(9-1)17-18-27-21-22-30(43-36-16-4-6-24-40-36)25-35(27)42(33)34-15-8-11-29-20-19-28-10-7-12-31(37(28)41-38(29)34)32-13-3-5-23-39-32;1-3-23-39-33(17-1)31-15-7-11-27-21-19-25-9-5-13-29(35(25)41-37(27)31)30-14-6-10-26-20-22-28-12-8-16-32(38(28)42-36(26)30)34-18-2-4-24-40-34;1-2-15-34-26(9-1)17-18-27-19-22-30(25-35(27)42(34)36-16-4-6-24-40-36)31-12-7-10-28-20-21-29-11-8-13-32(38(29)41-37(28)31)33-14-3-5-23-39-33;14*1-2;;;/h1-24H;2*1-24H;14*1-2H3;;;/q3*-2;;;;;;;;;;;;;;;3*+2
• InChIKey: FTTHWBRZYZXUDG-UHFFFAOYSA-N
• XLogP: 46.37
• TPSA: 149.45 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2632.13
LogP ≤ 5	46.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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 ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide?

The IUPAC name of ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide (CID 160952705) is ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide.

What is the SMILES notation for ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide?

The canonical SMILES for ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide is C1=Cc2cccc(-c3cccc4c3[N-]c3c(cccc3-c3ccccn3)C=C4)c2[N-]c2c1cccc2-c1ccccn1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2cccc3c2[N-]c2c(cccc2-c2ccccn2)C=C3)ccc2c1N(c1ccccn1)c1ccccc1C=C2.[c-]1c(Oc2ccccn2)ccc2c1N(c1cccc3c1[N-]c1c(cccc1-c1ccccn1)C=C3)c1ccccc1C=C2.

What is the InChIKey of ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide?

The InChIKey is FTTHWBRZYZXUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O.2C38H24N4.14C2H6.3Pt/c1-2-14-33-26(9-1)17-18-27-21-22-30(43-36-16-4-6-24-40-36)25-35(27)42(33)34-15-8-11-29-20-19-28-10-7-12-31(37(28)41-38(29)34)32-13-3-5-23-39-32;1-3-23-39-33(17-1)31-15-7-11-27-21-19-25-9-5-13-29(35(25)41-37(27)31)30-14-6-10-26-20-22-28-12-8-16-32(38(28)42-36(26)30)34-18-2-4-24-40-34;1-2-15-34-26(9-1)17-18-27-19-22-30(25-35(27)42(34)36-16-4-6-24-40-36)31-12-7-10-28-20-21-29-11-8-13-32(38(29)41-37(28)31)33-14-3-5-23-39-33;14*1-2;;;/h1-24H;2*1-24H;14*1-2H3;;;/q3*-2;;;;;;;;;;;;;;;3*+2.

What are the key properties of ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide?

ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide has a molecular weight of 2632.13 g/mol, XLogP of 46.37, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;tris(platinum(2+));1-pyridin-2-yl-10-(1-pyridin-2-ylbenzo[b][1]benzazepin-11-id-10-yl)benzo[b][1]benzazepin-11-ide;1-pyridin-2-yl-10-(11-pyridin-2-yl-1H-benzo[b][1]benzazepin-1-id-2-yl)benzo[b][1]benzazepin-11-ide;10-pyridin-2-yl-1-(2-pyridin-2-yloxy-1H-benzo[b][1]benzazepin-1-id-11-yl)benzo[b][1]benzazepin-11-ide is sourced from PubChem (CID 160952705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).