methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane

C57H40Si — CID 123993063

About methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane

methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane (PubChem CID 123993063) has the molecular formula C57H40Si and a molecular weight of 753.03 g/mol. Its IUPAC name is methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane.

Molecular Properties

• Compound Name: methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane
• PubChem CID: 123993063
• Molecular Formula: C57H40Si
• Molecular Weight: 753.03 g/mol
• Exact Mass: 752.29
• IUPAC Name: methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane
• SMILES: C[Si](c1ccccc1)(c1ccc2ccccc2c1)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccccc12
• InChI: InChI=1S/C57H40Si/c1-58(46-19-3-2-4-20-46,47-34-33-40-16-6-8-18-44(40)38-47)55-36-35-48(49-21-9-10-22-50(49)55)41-28-30-42(31-29-41)56-51-23-11-13-25-53(51)57(54-26-14-12-24-52(54)56)45-32-27-39-15-5-7-17-43(39)37-45/h2-38H,1H3
• InChIKey: IZOMEYFNWCVTOS-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.03
LogP ≤ 5	13.55
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_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane?

The IUPAC name of methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane (CID 123993063) is methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane.

What is the SMILES notation for methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane?

The canonical SMILES for methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane is C[Si](c1ccccc1)(c1ccc2ccccc2c1)c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)c2ccccc12.

What is the InChIKey of methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane?

The InChIKey is IZOMEYFNWCVTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40Si/c1-58(46-19-3-2-4-20-46,47-34-33-40-16-6-8-18-44(40)38-47)55-36-35-48(49-21-9-10-22-50(49)55)41-28-30-42(31-29-41)56-51-23-11-13-25-53(51)57(54-26-14-12-24-52(54)56)45-32-27-39-15-5-7-17-43(39)37-45/h2-38H,1H3.

What are the key properties of methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane?

methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane has a molecular weight of 753.03 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane is sourced from PubChem (CID 123993063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).