1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)

C31H26N4Pt — CID 140758633

About 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)

1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+) (PubChem CID 140758633) has the molecular formula C31H26N4Pt and a molecular weight of 649.66 g/mol. Its IUPAC name is 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+).

Molecular Properties

• Compound Name: 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)
• PubChem CID: 140758633
• Molecular Formula: C31H26N4Pt
• Molecular Weight: 649.66 g/mol
• Exact Mass: 649.18
• IUPAC Name: 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)
• SMILES: Cn1c(-c2cccc(C(C)(C)c3cccc(-c4[c-]c5ccccc5n4C)n3)n2)[c-]c2ccccc21.[Pt+2]
• InChI: InChI=1S/C31H26N4.Pt/c1-31(2,29-17-9-13-23(32-29)27-19-21-11-5-7-15-25(21)34(27)3)30-18-10-14-24(33-30)28-20-22-12-6-8-16-26(22)35(28)4;/h5-18H,1-4H3;/q-2;+2
• InChIKey: PPCUZULLVZWTDZ-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.66
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)?

The IUPAC name of 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+) (CID 140758633) is 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+).

What is the SMILES notation for 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)?

The canonical SMILES for 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+) is Cn1c(-c2cccc(C(C)(C)c3cccc(-c4[c-]c5ccccc5n4C)n3)n2)[c-]c2ccccc21.[Pt+2].

What is the InChIKey of 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)?

The InChIKey is PPCUZULLVZWTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4.Pt/c1-31(2,29-17-9-13-23(32-29)27-19-21-11-5-7-15-25(21)34(27)3)30-18-10-14-24(33-30)28-20-22-12-6-8-16-26(22)35(28)4;/h5-18H,1-4H3;/q-2;+2.

What are the key properties of 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+)?

1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+) has a molecular weight of 649.66 g/mol, XLogP of 6.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-[6-[2-[6-(1-methyl-3H-indol-3-id-2-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-indol-3-ide;platinum(2+) is sourced from PubChem (CID 140758633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).