[4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane

C56H50Si2 — CID 59391126

About [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane

[4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane (PubChem CID 59391126) has the molecular formula C56H50Si2 and a molecular weight of 779.19 g/mol. Its IUPAC name is [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
• PubChem CID: 59391126
• Molecular Formula: C56H50Si2
• Molecular Weight: 779.19 g/mol
• Exact Mass: 778.35
• IUPAC Name: [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane
• SMILES: Cc1ccc(-c2cc(-c3ccc([Si](C)(C)C)c4ccccc34)c3ccc4c(-c5ccc(C)cc5)cc(-c5ccc([Si](C)(C)C)c6ccccc56)c5ccc2c3c45)cc1
• InChI: InChI=1S/C56H50Si2/c1-35-17-21-37(22-18-35)49-33-51(41-29-31-53(57(3,4)5)43-15-11-9-13-39(41)43)47-28-26-46-50(38-23-19-36(2)20-24-38)34-52(48-27-25-45(49)55(47)56(46)48)42-30-32-54(58(6,7)8)44-16-12-10-14-40(42)44/h9-34H,1-8H3
• InChIKey: WALNJNYAOFOYQZ-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.19
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane?

The IUPAC name of [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane (CID 59391126) is [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane.

What is the SMILES notation for [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane?

The canonical SMILES for [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane is Cc1ccc(-c2cc(-c3ccc([Si](C)(C)C)c4ccccc34)c3ccc4c(-c5ccc(C)cc5)cc(-c5ccc([Si](C)(C)C)c6ccccc56)c5ccc2c3c45)cc1.

What is the InChIKey of [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane?

The InChIKey is WALNJNYAOFOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50Si2/c1-35-17-21-37(22-18-35)49-33-51(41-29-31-53(57(3,4)5)43-15-11-9-13-39(41)43)47-28-26-46-50(38-23-19-36(2)20-24-38)34-52(48-27-25-45(49)55(47)56(46)48)42-30-32-54(58(6,7)8)44-16-12-10-14-40(42)44/h9-34H,1-8H3.

What are the key properties of [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane?

[4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane has a molecular weight of 779.19 g/mol, XLogP of 15.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3,8-bis(4-methylphenyl)-6-(4-trimethylsilylnaphthalen-1-yl)pyren-1-yl]naphthalen-1-yl]-trimethylsilane is sourced from PubChem (CID 59391126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).