(2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+)

C39H27N5Pt — CID 140699356

About (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+)

(2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+) (PubChem CID 140699356) has the molecular formula C39H27N5Pt and a molecular weight of 760.76 g/mol. Its IUPAC name is (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+).

Molecular Properties

• Compound Name: (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+)
• PubChem CID: 140699356
• Molecular Formula: C39H27N5Pt
• Molecular Weight: 760.76 g/mol
• Exact Mass: 760.19
• IUPAC Name: (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+)
• SMILES: C(=C1\[N-]c2ccccc2C1c1ccccc1)\c1cccc(-c2cccc(/C=C3\[N-]c4ccccc4N3c3ccccc3)n2)n1.[Pt+2]
• InChI: InChI=1S/C39H27N5.Pt/c1-3-13-27(14-4-1)39-31-19-7-8-20-32(31)42-36(39)25-28-15-11-22-33(40-28)34-23-12-16-29(41-34)26-38-43-35-21-9-10-24-37(35)44(38)30-17-5-2-6-18-30;/h1-26,39H;/q-2;+2/b36-25+,38-26+
• InChIKey: FMYUEPCZFGIAAX-DGYQCHSMSA-N
• XLogP: 10.49
• TPSA: 57.22 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.76
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+)?

The IUPAC name of (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+) (CID 140699356) is (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+).

What is the SMILES notation for (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+)?

The canonical SMILES for (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+) is C(=C1\[N-]c2ccccc2C1c1ccccc1)\c1cccc(-c2cccc(/C=C3\[N-]c4ccccc4N3c3ccccc3)n2)n1.[Pt+2].

What is the InChIKey of (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+)?

The InChIKey is FMYUEPCZFGIAAX-DGYQCHSMSA-N. The full InChI is InChI=1S/C39H27N5.Pt/c1-3-13-27(14-4-1)39-31-19-7-8-20-32(31)42-36(39)25-28-15-11-22-33(40-28)34-23-12-16-29(41-34)26-38-43-35-21-9-10-24-37(35)44(38)30-17-5-2-6-18-30;/h1-26,39H;/q-2;+2/b36-25+,38-26+;.

What are the key properties of (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+)?

(2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+) has a molecular weight of 760.76 g/mol, XLogP of 10.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-1-phenyl-2-[[6-[6-[(Z)-(3-phenyl-3H-indol-1-id-2-ylidene)methyl]-2-pyridinyl]-2-pyridinyl]methylidene]benzimidazol-3-ide;platinum(2+) is sourced from PubChem (CID 140699356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).