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

C57H40Si — CID 123697504

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

methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane (PubChem CID 123697504) has the molecular formula C57H40Si and a molecular weight of 753.03 g/mol. Its IUPAC name is methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane.

Molecular Properties

• Compound Name: methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane
• PubChem CID: 123697504
• Molecular Formula: C57H40Si
• Molecular Weight: 753.03 g/mol
• Exact Mass: 752.29
• IUPAC Name: methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane
• SMILES: C[Si](c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
• InChI: InChI=1S/C57H40Si/c1-58(48-35-31-39-13-2-4-16-45(39)37-48,49-36-32-40-14-3-5-17-46(40)38-49)47-33-29-42(30-34-47)41-25-27-44(28-26-41)56-52-20-8-10-22-54(52)57(55-23-11-9-21-53(55)56)51-24-12-18-43-15-6-7-19-50(43)51/h2-38H,1H3
• InChIKey: RDOPLNGPXZIOBB-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-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane?

The IUPAC name of methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane (CID 123697504) is methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane.

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

The canonical SMILES for methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane is C[Si](c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.

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

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

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

methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane 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-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane is sourced from PubChem (CID 123697504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).