N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)

C43H35N5Pt — CID 162448983

About N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)

N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 162448983) has the molecular formula C43H35N5Pt and a molecular weight of 816.87 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 162448983
• Molecular Formula: C43H35N5Pt
• Molecular Weight: 816.87 g/mol
• Exact Mass: 816.25
• IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)c3ccccc3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C43H35N5.Pt/c1-30-26-31(2)48(45-30)37-19-13-18-35(28-37)46(34-16-9-6-10-17-34)36-22-23-39-38-20-11-12-21-40(38)47(41(39)29-36)42-27-33(24-25-44-42)43(3,4)32-14-7-5-8-15-32;/h5-27H,1-4H3;/q-2;+2
• InChIKey: HUQGXBYHTRBJMO-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.87
LogP ≤ 5	10.37
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-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 162448983) is N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+).

What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is Cc1cc(C)n(-c2[c-]c(N(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)c3ccccc3)ccc2)n1.[Pt+2].

What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

The InChIKey is HUQGXBYHTRBJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N5.Pt/c1-30-26-31(2)48(45-30)37-19-13-18-35(28-37)46(34-16-9-6-10-17-34)36-22-23-39-38-20-11-12-21-40(38)47(41(39)29-36)42-27-33(24-25-44-42)43(3,4)32-14-7-5-8-15-32;/h5-27H,1-4H3;/q-2;+2.

What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)?

N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 816.87 g/mol, XLogP of 10.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 162448983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).