2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

C35H21N7Pt — CID 140729303

About 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)

2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 140729303) has the molecular formula C35H21N7Pt and a molecular weight of 734.68 g/mol. Its IUPAC name is 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 140729303
• Molecular Formula: C35H21N7Pt
• Molecular Weight: 734.68 g/mol
• Exact Mass: 734.15
• IUPAC Name: 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(-n2cccn2)cccc1-n1c2[c-]c(-n3cc(-n4c5ccccc5c5ccccc54)nn3)ccc2c2ccccc21
• InChI: InChI=1S/C35H21N7.Pt/c1-4-14-31-29(13-1)30-18-17-25(22-34(30)41(31)26-10-7-9-24(21-26)39-20-8-19-36-39)40-23-35(37-38-40)42-32-15-5-2-11-27(32)28-12-3-6-16-33(28)42;/h1-20,23H;/q-2;+2
• InChIKey: VYXFMYAFFNMJHV-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	734.68
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) (CID 140729303) is 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is [Pt+2].[c-]1c(-n2cccn2)cccc1-n1c2[c-]c(-n3cc(-n4c5ccccc5c5ccccc54)nn3)ccc2c2ccccc21.

What is the InChIKey of 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is VYXFMYAFFNMJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N7.Pt/c1-4-14-31-29(13-1)30-18-17-25(22-34(30)41(31)26-10-7-9-24(21-26)39-20-8-19-36-39)40-23-35(37-38-40)42-32-15-5-2-11-27(32)28-12-3-6-16-33(28)42;/h1-20,23H;/q-2;+2.

What are the key properties of 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)?

2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 734.68 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carbazol-9-yltriazol-1-yl)-9-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 140729303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).