9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)

C50H34N4Pt — CID 167401953

About 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)

9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167401953) has the molecular formula C50H34N4Pt and a molecular weight of 888.95 g/mol. Its IUPAC name is 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167401953
• Molecular Formula: C50H34N4Pt
• Molecular Weight: 888.95 g/mol
• Exact Mass: 888.26
• IUPAC Name: 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])N1CN(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C50H34N4.Pt/c1-52-33-53(47-25-12-11-24-46(47)52)38-17-13-16-36(31-38)50(43-21-8-5-18-39(43)40-19-6-9-22-44(40)50)37-26-27-42-41-20-7-10-23-45(41)54(48(42)32-37)49-30-35(28-29-51-49)34-14-3-2-4-15-34;/h2-30H,33H2,1H3;/q-2;+2/i1D3
• InChIKey: ZGNQVPWUMWUICR-NIIDSAIPSA-N
• XLogP: 11.35
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.95
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) (CID 167401953) is 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) is [2H]C([2H])([2H])N1CN(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt+2].

What is the InChIKey of 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZGNQVPWUMWUICR-NIIDSAIPSA-N. The full InChI is InChI=1S/C50H34N4.Pt/c1-52-33-53(47-25-12-11-24-46(47)52)38-17-13-16-36(31-38)50(43-21-8-5-18-39(43)40-19-6-9-22-44(40)50)37-26-27-42-41-20-7-10-23-45(41)54(48(42)32-37)49-30-35(28-29-51-49)34-14-3-2-4-15-34;/h2-30H,33H2,1H3;/q-2;+2/i1D3;.

What are the key properties of 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)?

9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 888.95 g/mol, XLogP of 11.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-phenyl-2-pyridinyl)-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167401953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).