2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)

C64H40N2Pt — CID 155620139

About 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)

2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+) (PubChem CID 155620139) has the molecular formula C64H40N2Pt and a molecular weight of 1032.12 g/mol. Its IUPAC name is 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)
• PubChem CID: 155620139
• Molecular Formula: C64H40N2Pt
• Molecular Weight: 1032.12 g/mol
• Exact Mass: 1031.28
• IUPAC Name: 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)
• SMILES: [Pt+2].[c-]1ccccc1-c1cccc(C(=C(c2ccc(-c3cccc4ccccc34)c3ccccc23)c2ccc(-c3cccc4ccccc34)c3ccccc23)c2cccc(-c3[c-]cccc3)n2)n1
• InChI: InChI=1S/C64H40N2.Pt/c1-3-21-45(22-4-1)59-35-17-37-61(65-59)64(62-38-18-36-60(66-62)46-23-5-2-6-24-46)63(57-41-39-55(51-29-11-13-31-53(51)57)49-33-15-25-43-19-7-9-27-47(43)49)58-42-40-56(52-30-12-14-32-54(52)58)50-34-16-26-44-20-8-10-28-48(44)50;/h1-21,23,25-42H;/q-2;+2
• InChIKey: VDQZGILSJWOPBV-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1032.12
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)?

The IUPAC name of 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+) (CID 155620139) is 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+).

What is the SMILES notation for 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)?

The canonical SMILES for 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+) is [Pt+2].[c-]1ccccc1-c1cccc(C(=C(c2ccc(-c3cccc4ccccc34)c3ccccc23)c2ccc(-c3cccc4ccccc34)c3ccccc23)c2cccc(-c3[c-]cccc3)n2)n1.

What is the InChIKey of 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)?

The InChIKey is VDQZGILSJWOPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2.Pt/c1-3-21-45(22-4-1)59-35-17-37-61(65-59)64(62-38-18-36-60(66-62)46-23-5-2-6-24-46)63(57-41-39-55(51-29-11-13-31-53(51)57)49-33-15-25-43-19-7-9-27-47(43)49)58-42-40-56(52-30-12-14-32-54(52)58)50-34-16-26-44-20-8-10-28-48(44)50;/h1-21,23,25-42H;/q-2;+2.

What are the key properties of 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+)?

2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+) has a molecular weight of 1032.12 g/mol, XLogP of 16.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,2-bis(4-naphthalen-1-ylnaphthalen-1-yl)-1-(6-phenyl-2-pyridinyl)ethenyl]-6-phenylpyridine;platinum(2+) is sourced from PubChem (CID 155620139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).