bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+))

C64H48N8Pt2+4 — CID 171461873

About bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+))

bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+)) (PubChem CID 171461873) has the molecular formula C64H48N8Pt2+4 and a molecular weight of 1319.30 g/mol. Its IUPAC name is bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+)).

Molecular Properties

• Compound Name: bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+))
• PubChem CID: 171461873
• Molecular Formula: C64H48N8Pt2+4
• Molecular Weight: 1319.30 g/mol
• Exact Mass: 1318.33
• IUPAC Name: bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+))
• SMILES: Cc1ccc2c(c1)C(c1[c-]c([N+]3=C=[N+](C)c4ccccc43)ccc1)(c1cc[n-]n1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1[c-]c([N+]3=C=[N+](C)c4ccccc43)ccc1)(c1cc[n-]n1)c1cc(C)ccc1-2.[Pt+2].[Pt+2]
• InChI: InChI=1S/2C32H24N4.2Pt/c2*1-21-11-13-25-26-14-12-22(2)18-28(26)32(27(25)17-21,31-15-16-33-34-31)23-7-6-8-24(19-23)36-20-35(3)29-9-4-5-10-30(29)36;;/h2*4-18H,1-3H3;;/q;;2*+2
• InChIKey: GKUATHVRWGIYPS-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 66.02 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1319.30
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+))?

The IUPAC name of bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+)) (CID 171461873) is bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+)).

What is the SMILES notation for bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+))?

The canonical SMILES for bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+)) is Cc1ccc2c(c1)C(c1[c-]c([N+]3=C=[N+](C)c4ccccc43)ccc1)(c1cc[n-]n1)c1cc(C)ccc1-2.Cc1ccc2c(c1)C(c1[c-]c([N+]3=C=[N+](C)c4ccccc43)ccc1)(c1cc[n-]n1)c1cc(C)ccc1-2.[Pt+2].[Pt+2].

What is the InChIKey of bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+))?

The InChIKey is GKUATHVRWGIYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H24N4.2Pt/c2*1-21-11-13-25-26-14-12-22(2)18-28(26)32(27(25)17-21,31-15-16-33-34-31)23-7-6-8-24(19-23)36-20-35(3)29-9-4-5-10-30(29)36;;/h2*4-18H,1-3H3;;/q;;2*+2.

What are the key properties of bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+))?

bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+)) has a molecular weight of 1319.30 g/mol, XLogP of 12.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[3-(2,7-dimethyl-9-pyrazol-1-id-3-ylfluoren-9-yl)benzene-2-id-1-yl]-3-methylbenzimidazole-1,3-diium);bis(platinum(2+)) is sourced from PubChem (CID 171461873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).