Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane

C₄₈H₃₂Si — CID 151796817

About Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane

Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane (PubChem CID 151796817) has the molecular formula C₄₈H₃₂Si and a molecular weight of 636.87 g/mol. Its IUPAC name is diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane.

Molecular Properties

• Compound Name: Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane
• PubChem CID: 151796817
• Molecular Formula: C₄₈H₃₂Si
• Molecular Weight: 636.87 g/mol
• Exact Mass: 636.23
• IUPAC Name: diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane
• SMILES: c1ccc([SiH](c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C48H32Si/c1-3-14-38(15-4-1)49(39-16-5-2-6-17-39)40-28-26-34(27-29-40)47-41-18-7-9-20-43(41)48(44-21-10-8-19-42(44)47)37-30-35-24-22-32-12-11-13-33-23-25-36(31-37)46(35)45(32)33/h1-31,49H
• InChIKey: RXTSFHQCRSGLBC-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.87
LogP ≤ 5	10.47
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane?

The IUPAC name of Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane (CID 151796817) is diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane.

What is the SMILES notation for Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane?

The canonical SMILES for Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane is c1ccc([SiH](c2ccccc2)c2ccc(-c3c4ccccc4c(-c4cc5ccc6cccc7ccc(c4)c5c67)c4ccccc34)cc2)cc1.

What is the InChIKey of Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane?

The InChIKey is RXTSFHQCRSGLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32Si/c1-3-14-38(15-4-1)49(39-16-5-2-6-17-39)40-28-26-34(27-29-40)47-41-18-7-9-20-43(41)48(44-21-10-8-19-42(44)47)37-30-35-24-22-32-12-11-13-33-23-25-36(31-37)46(35)45(32)33/h1-31,49H.

What are the key properties of Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane?

Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane has a molecular weight of 636.87 g/mol, XLogP of 10.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Diphenyl-[4-(10-pyren-2-ylanthracen-9-yl)phenyl]silane is sourced from PubChem (CID 151796817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151796817 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.