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

C45H30N5OPt2-3 — CID 168758157

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

1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) (PubChem CID 168758157) has the molecular formula C45H30N5OPt2-3 and a molecular weight of 1046.92 g/mol. Its IUPAC name is 1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+).

Molecular Properties

• Compound Name: 1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)
• PubChem CID: 168758157
• Molecular Formula: C45H30N5OPt2-3
• Molecular Weight: 1046.92 g/mol
• Exact Mass: 1046.18
• IUPAC Name: 1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(N(c3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)c3ccccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt]
• InChI: InChI=1S/C39H26N4O.C6H4N.2Pt/c1-41-23-24-42(29-41)34-15-10-17-36(28-34)43(33-13-4-2-5-14-33)35-16-8-12-32(25-35)39-27-31(21-22-40-39)30-11-9-20-38(26-30)44-37-18-6-3-7-19-37;1-2-7-5-3-4-6-7;;/h2-18,20,22-24,27,29H,1H3;3-6H;;/q-6;-1;;+4
• InChIKey: UZGZBSDWBSTKKS-UHFFFAOYSA-N
• XLogP: 9.90
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.92
LogP ≤ 5	9.90
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-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+)?

The IUPAC name of 1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) (CID 168758157) is 1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+).

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

The canonical SMILES for 1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) is CN1C=CN(c2[c-]c(N(c3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)ccc5)[c-]cn4)ccc3)c3ccccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt].

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

The InChIKey is UZGZBSDWBSTKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4O.C6H4N.2Pt/c1-41-23-24-42(29-41)34-15-10-17-36(28-34)43(33-13-4-2-5-14-33)35-16-8-12-32(25-35)39-27-31(21-22-40-39)30-11-9-20-38(26-30)44-37-18-6-3-7-19-37;1-2-7-5-3-4-6-7;;/h2-18,20,22-24,27,29H,1H3;3-6H;;/q-6;-1;;+4.

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

1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) has a molecular weight of 1046.92 g/mol, XLogP of 9.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynylpyrrole;N-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-3-[4-[3-(phenoxy)benzene-2-id-1-yl]-3H-pyridin-3-id-6-yl]-N-phenylbenzene-2-id-1-amine;platinum;platinum(4+) is sourced from PubChem (CID 168758157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).