acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)

C42H27N5Pt — CID 163770103

About acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)

acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+) (PubChem CID 163770103) has the molecular formula C42H27N5Pt and a molecular weight of 796.79 g/mol. Its IUPAC name is acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+).

Molecular Properties

• Compound Name: acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)
• PubChem CID: 163770103
• Molecular Formula: C42H27N5Pt
• Molecular Weight: 796.79 g/mol
• Exact Mass: 796.19
• IUPAC Name: acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)
• SMILES: C#C.[Pt+2].[c-]1c(N(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc2)ccc2c3ccccc3n(-c3ccccn3)c12
• InChI: InChI=1S/C40H25N5.C2H2.Pt/c1-2-12-28(13-3-1)43(29-20-22-33-31-14-4-6-16-35(31)44(37(33)26-29)39-18-8-10-24-41-39)30-21-23-34-32-15-5-7-17-36(32)45(38(34)27-30)40-19-9-11-25-42-40;1-2;/h1-25H;1-2H;/q-2;;+2
• InChIKey: PCBXBXPOPWLGQX-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 38.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.79
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)?

The IUPAC name of acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+) (CID 163770103) is acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+).

What is the SMILES notation for acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)?

The canonical SMILES for acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+) is C#C.[Pt+2].[c-]1c(N(c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)c2ccccc2)ccc2c3ccccc3n(-c3ccccn3)c12.

What is the InChIKey of acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)?

The InChIKey is PCBXBXPOPWLGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5.C2H2.Pt/c1-2-12-28(13-3-1)43(29-20-22-33-31-14-4-6-16-35(31)44(37(33)26-29)39-18-8-10-24-41-39)30-21-23-34-32-15-5-7-17-36(32)45(38(34)27-30)40-19-9-11-25-42-40;1-2;/h1-25H;1-2H;/q-2;;+2.

What are the key properties of acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+)?

acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+) has a molecular weight of 796.79 g/mol, XLogP of 9.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-phenyl-9-pyridin-2-yl-N-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-id-2-amine;platinum(2+) is sourced from PubChem (CID 163770103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).