1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)

C40H28N5Pt2S-3 — CID 168758435

About 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)

1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) (PubChem CID 168758435) has the molecular formula C40H28N5Pt2S-3 and a molecular weight of 1000.92 g/mol. Its IUPAC name is 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+).

Molecular Properties

• Compound Name: 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)
• PubChem CID: 168758435
• Molecular Formula: C40H28N5Pt2S-3
• Molecular Weight: 1000.92 g/mol
• Exact Mass: 1000.14
• IUPAC Name: 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(Sc3[c-]c(-c4cc(-c5[c-]c(N(C)c6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt]
• InChI: InChI=1S/C34H24N4S.C6H4N.2Pt/c1-36-19-20-38(25-36)31-14-8-16-33(24-31)39-32-15-7-10-28(22-32)34-23-27(17-18-35-34)26-9-6-13-30(21-26)37(2)29-11-4-3-5-12-29;1-2-7-5-3-4-6-7;;/h3-11,13-16,18-20,23,25H,1-2H3;3-6H;;/q-6;-1;;+4
• InChIKey: QPRIRRCMEXRHAZ-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 27.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.92
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)?

The IUPAC name of 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) (CID 168758435) is 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+).

What is the SMILES notation for 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)?

The canonical SMILES for 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) is CN1C=CN(c2[c-]c(Sc3[c-]c(-c4cc(-c5[c-]c(N(C)c6[c-]cccc6)ccc5)[c-]cn4)ccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt].

What is the InChIKey of 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)?

The InChIKey is QPRIRRCMEXRHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4S.C6H4N.2Pt/c1-36-19-20-38(25-36)31-14-8-16-33(24-31)39-32-15-7-10-28(22-32)34-23-27(17-18-35-34)26-9-6-13-30(21-26)37(2)29-11-4-3-5-12-29;1-2-7-5-3-4-6-7;;/h3-11,13-16,18-20,23,25H,1-2H3;3-6H;;/q-6;-1;;+4.

What are the key properties of 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)?

1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) has a molecular weight of 1000.92 g/mol, XLogP of 8.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynylpyrrole;N-methyl-3-[6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) is sourced from PubChem (CID 168758435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).