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

C38H33N5Pt — CID 162447307

About N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-methyl-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-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 162447307) has the molecular formula C38H33N5Pt and a molecular weight of 754.80 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-methyl-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-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 162447307
• Molecular Formula: C38H33N5Pt
• Molecular Weight: 754.80 g/mol
• Exact Mass: 754.24
• IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(N(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C38H33N5.Pt/c1-26-22-27(2)43(40-26)32-15-11-14-30(24-32)41(5)31-18-19-34-33-16-9-10-17-35(33)42(36(34)25-31)37-23-29(20-21-39-37)38(3,4)28-12-7-6-8-13-28;/h6-23H,1-5H3;/q-2;+2
• InChIKey: QXVPGXRBVGNWDT-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.80
LogP ≤ 5	8.67
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-methyl-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-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) (CID 162447307) is N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-methyl-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-methyl-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-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is Cc1cc(C)n(-c2[c-]c(N(C)c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)ccc2)n1.[Pt+2].

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

The InChIKey is QXVPGXRBVGNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33N5.Pt/c1-26-22-27(2)43(40-26)32-15-11-14-30(24-32)41(5)31-18-19-34-33-16-9-10-17-35(33)42(36(34)25-31)37-23-29(20-21-39-37)38(3,4)28-12-7-6-8-13-28;/h6-23H,1-5H3;/q-2;+2.

What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-N-methyl-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-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 754.80 g/mol, XLogP of 8.67, 6 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-methyl-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 162447307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).