1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)

C53H35N4O2Pt2-3 — CID 168758255

About 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)

1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) (PubChem CID 168758255) has the molecular formula C53H35N4O2Pt2-3 and a molecular weight of 1150.04 g/mol. Its IUPAC name is 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+).

Molecular Properties

• Compound Name: 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)
• PubChem CID: 168758255
• Molecular Formula: C53H35N4O2Pt2-3
• Molecular Weight: 1150.04 g/mol
• Exact Mass: 1149.21
• IUPAC Name: 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)cc(C6(C)c7ccccc7-c7ccccc76)c5)[c-]cn4)ccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt]
• InChI: InChI=1S/C47H31N3O2.C6H4N.2Pt/c1-47(44-20-8-6-18-42(44)43-19-7-9-21-45(43)47)36-26-35(28-41(30-36)51-38-14-4-3-5-15-38)33-22-23-48-46(29-33)34-12-10-16-39(27-34)52-40-17-11-13-37(31-40)50-25-24-49(2)32-50;1-2-7-5-3-4-6-7;;/h3-14,16-21,23-26,29-30,32H,1-2H3;3-6H;;/q-6;-1;;+4
• InChIKey: VWBRVWOEFYKNAB-UHFFFAOYSA-N
• XLogP: 11.56
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.04
LogP ≤ 5	11.56
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;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

The IUPAC name of 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) (CID 168758255) is 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+).

What is the SMILES notation for 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

The canonical SMILES for 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) is CN1C=CN(c2[c-]c(Oc3[c-]c(-c4cc(-c5[c-]c(Oc6[c-]cccc6)cc(C6(C)c7ccccc7-c7ccccc76)c5)[c-]cn4)ccc3)ccc2)[CH-]1.[C-]#Cn1cccc1.[Pt+4].[Pt].

What is the InChIKey of 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

The InChIKey is VWBRVWOEFYKNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3O2.C6H4N.2Pt/c1-47(44-20-8-6-18-42(44)43-19-7-9-21-45(43)47)36-26-35(28-41(30-36)51-38-14-4-3-5-15-38)33-22-23-48-46(29-33)34-12-10-16-39(27-34)52-40-17-11-13-37(31-40)50-25-24-49(2)32-50;1-2-7-5-3-4-6-7;;/h3-14,16-21,23-26,29-30,32H,1-2H3;3-6H;;/q-6;-1;;+4.

What are the key properties of 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+)?

1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) has a molecular weight of 1150.04 g/mol, XLogP of 11.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethynylpyrrole;4-[3-(9-methylfluoren-9-yl)-5-(phenoxy)benzene-6-id-1-yl]-6-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-3H-pyridin-3-ide;platinum;platinum(4+) is sourced from PubChem (CID 168758255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).