1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)

C44H34N4OPt — CID 169066005

About 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)

1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) (PubChem CID 169066005) has the molecular formula C44H34N4OPt and a molecular weight of 829.86 g/mol. Its IUPAC name is 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+).

Molecular Properties

• Compound Name: 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)
• PubChem CID: 169066005
• Molecular Formula: C44H34N4OPt
• Molecular Weight: 829.86 g/mol
• Exact Mass: 829.24
• IUPAC Name: 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)ccc6c5-c5ccccc5C6(C)C)c5ccccc54)ccc3)ccc2)[CH-]1.[Pt+4]
• InChI: InChI=1S/C44H34N4O.Pt/c1-44(2)38-20-8-7-19-37(38)42-39(44)24-23-36(31-13-5-4-6-14-31)43(42)48-30-47(40-21-9-10-22-41(40)48)33-16-12-18-35(28-33)49-34-17-11-15-32(27-34)46-26-25-45(3)29-46;/h4-26,29-30H,1-3H3;/q-4;+4
• InChIKey: YRLHOGXNOJCPSW-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	829.86
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)?

The IUPAC name of 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) (CID 169066005) is 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+).

What is the SMILES notation for 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)?

The canonical SMILES for 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) is CN1C=CN(c2[c-]c(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)ccc6c5-c5ccccc5C6(C)C)c5ccccc54)ccc3)ccc2)[CH-]1.[Pt+4].

What is the InChIKey of 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)?

The InChIKey is YRLHOGXNOJCPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N4O.Pt/c1-44(2)38-20-8-7-19-37(38)42-39(44)24-23-36(31-13-5-4-6-14-31)43(42)48-30-47(40-21-9-10-22-41(40)48)33-16-12-18-35(28-33)49-34-17-11-15-32(27-34)46-26-25-45(3)29-46;/h4-26,29-30H,1-3H3;/q-4;+4.

What are the key properties of 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+)?

1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) has a molecular weight of 829.86 g/mol, XLogP of 10.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9,9-dimethyl-3-phenylfluoren-4-yl)-3-[3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzimidazol-2-ide;platinum(4+) is sourced from PubChem (CID 169066005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).