1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+)

C51H34N6Pt2+2 — CID 168758423

About 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+)

1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+) (PubChem CID 168758423) has the molecular formula C51H34N6Pt2+2 and a molecular weight of 1121.03 g/mol. Its IUPAC name is 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+).

Molecular Properties

• Compound Name: 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+)
• PubChem CID: 168758423
• Molecular Formula: C51H34N6Pt2+2
• Molecular Weight: 1121.03 g/mol
• Exact Mass: 1120.21
• IUPAC Name: 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(N(c3[c-]c(-c4cc(-c5[c-]c(N(c6[c-]cccc6)c6ccccc6)ccc5)[c-]cn4)ccc3)c3ccccc3)ccc2)C=C1.[C-]#Cn1cccc1.[Pt+2].[Pt+4]
• InChI: InChI=1S/C45H30N5.C6H4N.2Pt/c1-47-28-29-48(34-47)41-22-13-25-44(33-41)50(40-20-9-4-10-21-40)43-24-12-15-37(31-43)45-32-36(26-27-46-45)35-14-11-23-42(30-35)49(38-16-5-2-6-17-38)39-18-7-3-8-19-39;1-2-7-5-3-4-6-7;;/h2-18,20-25,27-29,32H,1H3;3-6H;;/q-3;-1;+2;+4
• InChIKey: OGFHBZAHNRQABD-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 30.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1121.03
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+)?

The IUPAC name of 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+) (CID 168758423) is 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+).

What is the SMILES notation for 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+)?

The canonical SMILES for 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+) is C[N+]1=C=[N+](c2[c-]c(N(c3[c-]c(-c4cc(-c5[c-]c(N(c6[c-]cccc6)c6ccccc6)ccc5)[c-]cn4)ccc3)c3ccccc3)ccc2)C=C1.[C-]#Cn1cccc1.[Pt+2].[Pt+4].

What is the InChIKey of 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+)?

The InChIKey is OGFHBZAHNRQABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N5.C6H4N.2Pt/c1-47-28-29-48(34-47)41-22-13-25-44(33-41)50(40-20-9-4-10-21-40)43-24-12-15-37(31-43)45-32-36(26-27-46-45)35-14-11-23-42(30-35)49(38-16-5-2-6-17-38)39-18-7-3-8-19-39;1-2-7-5-3-4-6-7;;/h2-18,20-25,27-29,32H,1H3;3-6H;;/q-3;-1;+2;+4.

What are the key properties of 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+)?

1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+) has a molecular weight of 1121.03 g/mol, XLogP of 11.18, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynylpyrrole;3-[6-[3-(N-[3-(3-methylimidazole-1,3-diium-1-yl)benzene-2-id-1-yl]anilino)benzene-2-id-1-yl]-3H-pyridin-3-id-4-yl]-N-phenyl-N-phenylbenzene-2-id-1-amine;platinum(2+);platinum(4+) is sourced from PubChem (CID 168758423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).