2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

C41H30N4Pt — CID 155636205

About 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)

2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (PubChem CID 155636205) has the molecular formula C41H30N4Pt and a molecular weight of 773.80 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 155636205
• Molecular Formula: C41H30N4Pt
• Molecular Weight: 773.80 g/mol
• Exact Mass: 773.21
• IUPAC Name: 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)
• SMILES: Cc1cc(C)n(-c2[c-]c(C(c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)(c3ccccc3)c3ccccc3)ccc2)n1.[Pt+2]
• InChI: InChI=1S/C41H30N4.Pt/c1-29-26-30(2)45(43-29)35-19-13-18-33(27-35)41(31-14-5-3-6-15-31,32-16-7-4-8-17-32)34-23-24-37-36-20-9-10-21-38(36)44(39(37)28-34)40-22-11-12-25-42-40;/h3-26H,1-2H3;/q-2;+2
• InChIKey: ZTGMYJYIQPXEIZ-UHFFFAOYSA-N
• XLogP: 8.96
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.80
LogP ≤ 5	8.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) (CID 155636205) is 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C)n(-c2[c-]c(C(c3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)(c3ccccc3)c3ccccc3)ccc2)n1.[Pt+2].

What is the InChIKey of 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is ZTGMYJYIQPXEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4.Pt/c1-29-26-30(2)45(43-29)35-19-13-18-33(27-35)41(31-14-5-3-6-15-31,32-16-7-4-8-17-32)34-23-24-37-36-20-9-10-21-38(36)44(39(37)28-34)40-22-11-12-25-42-40;/h3-26H,1-2H3;/q-2;+2.

What are the key properties of 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+)?

2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 773.80 g/mol, XLogP of 8.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(3,5-dimethylpyrazol-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 155636205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).