9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)

C49H43N5Pt — CID 167382907

About 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)

9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 167382907) has the molecular formula C49H43N5Pt and a molecular weight of 900.01 g/mol. Its IUPAC name is 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-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: 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 167382907
• Molecular Formula: C49H43N5Pt
• Molecular Weight: 900.01 g/mol
• Exact Mass: 899.34
• IUPAC Name: 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-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(-c4c(C(C)C)cccc4C(C)C)ccn3)c3ccccc3)ccc2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C49H43N5.Pt/c1-33(2)40-20-14-21-41(34(3)4)49(40)35-27-28-50-48(29-35)54-44-22-10-9-19-42(44)43-26-25-39(31-47(43)54)53(36-15-7-6-8-16-36)38-18-13-17-37(30-38)52-32-51(5)45-23-11-12-24-46(45)52;/h6-29,33-34H,32H2,1-5H3;/q-2;+2/i5D3
• InChIKey: RXVBYCMFEZYZLU-OWKBQAHQSA-N
• XLogP: 12.71
• TPSA: 27.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	900.01
LogP ≤ 5	12.71
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 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-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 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 167382907) is 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-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 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-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 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-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(-c4c(C(C)C)cccc4C(C)C)ccn3)c3ccccc3)ccc2)c2ccccc21.[Pt+2].

What is the InChIKey of 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The InChIKey is RXVBYCMFEZYZLU-OWKBQAHQSA-N. The full InChI is InChI=1S/C49H43N5.Pt/c1-33(2)40-20-14-21-41(34(3)4)49(40)35-27-28-50-48(29-35)54-44-22-10-9-19-42(44)43-26-25-39(31-47(43)54)53(36-15-7-6-8-16-36)38-18-13-17-37(30-38)52-32-51(5)45-23-11-12-24-46(45)52;/h6-29,33-34H,32H2,1-5H3;/q-2;+2/i5D3;.

What are the key properties of 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum(2+)?

9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-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 900.01 g/mol, XLogP of 12.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-phenyl-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 167382907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).