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

IUPAC1-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+)
SMILESCn1c(-c2cccc(C(C)(C)c3cccc(-c4[c-]c5ccccc5n4C)n3)n2)[c-]c2ccccc21.[Pt+2]
InChIInChI=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
InChIKeyPPCUZULLVZWTDZ-UHFFFAOYSA-N
MW649.66 g/mol
LogP6.72
Rot. Bonds4

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 Name1-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 CID140758633
Molecular FormulaC31H26N4Pt
Molecular Weight649.66 g/mol
Exact Mass649.18
IUPAC Name1-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+)
SMILESCn1c(-c2cccc(C(C)(C)c3cccc(-c4[c-]c5ccccc5n4C)n3)n2)[c-]c2ccccc21.[Pt+2]
InChIInChI=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
InChIKeyPPCUZULLVZWTDZ-UHFFFAOYSA-N
XLogP6.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.66
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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+) with MolForge

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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).