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

C43H31N5Pt — CID 167382070

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

N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 167382070) has the molecular formula C43H31N5Pt and a molecular weight of 815.85 g/mol. Its IUPAC name is N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 167382070
• Molecular Formula: C43H31N5Pt
• Molecular Weight: 815.85 g/mol
• Exact Mass: 815.24
• IUPAC Name: N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: [2H]C([2H])([2H])N1CN(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)c3ccccc3)ccc2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C43H31N5.Pt/c1-45-30-46(41-22-11-10-21-40(41)45)34-17-12-18-35(28-34)47(33-15-6-3-7-16-33)36-23-24-38-37-19-8-9-20-39(37)48(42(38)29-36)43-27-32(25-26-44-43)31-13-4-2-5-14-31;/h2-27H,30H2,1H3;/q-2;+2/i1D3
• InChIKey: IKJWERMUSOPKRD-NIIDSAIPSA-N
• XLogP: 10.46
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.85
LogP ≤ 5	10.46
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 N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 167382070) is N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+).

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

The canonical SMILES for N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) is [2H]C([2H])([2H])N1CN(c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)c3ccccc3)ccc2)c2ccccc21.[Pt+2].

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

The InChIKey is IKJWERMUSOPKRD-NIIDSAIPSA-N. The full InChI is InChI=1S/C43H31N5.Pt/c1-45-30-46(41-22-11-10-21-40(41)45)34-17-12-18-35(28-34)47(33-15-6-3-7-16-33)36-23-24-38-37-19-8-9-20-39(37)48(42(38)29-36)43-27-32(25-26-44-43)31-13-4-2-5-14-31;/h2-27H,30H2,1H3;/q-2;+2/i1D3;.

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

N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 815.85 g/mol, XLogP of 10.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-9-(4-phenyl-2-pyridinyl)-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 167382070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).