5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole

C29H22Si — CID 153488427

IUPAC5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
SMILESCc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C29H22Si/c1-21-15-17-25(18-16-21)30(24-11-3-2-4-12-24)28-14-8-7-13-26(28)27-19-22-9-5-6-10-23(22)20-29(27)30/h2-20H,1H3
InChIKeyDBCQLCOXVRWERQ-UHFFFAOYSA-N
MW398.58 g/mol
LogP4.51
Rot. Bonds2

About 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole

5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole (PubChem CID 153488427) has the molecular formula C29H22Si and a molecular weight of 398.58 g/mol. Its IUPAC name is 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole.

Molecular Properties

Compound Name5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
PubChem CID153488427
Molecular FormulaC29H22Si
Molecular Weight398.58 g/mol
Exact Mass398.15
IUPAC Name5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole
SMILESCc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C29H22Si/c1-21-15-17-25(18-16-21)30(24-11-3-2-4-12-24)28-14-8-7-13-26(28)27-19-22-9-5-6-10-23(22)20-29(27)30/h2-20H,1H3
InChIKeyDBCQLCOXVRWERQ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole?
The IUPAC name of 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole (CID 153488427) is 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole.
What is the SMILES notation for 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole?
The canonical SMILES for 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole is Cc1ccc([Si]2(c3ccccc3)c3ccccc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole?
The InChIKey is DBCQLCOXVRWERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Si/c1-21-15-17-25(18-16-21)30(24-11-3-2-4-12-24)28-14-8-7-13-26(28)27-19-22-9-5-6-10-23(22)20-29(27)30/h2-20H,1H3.
What are the key properties of 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole?
5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole has a molecular weight of 398.58 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-5-phenylnaphtho[2,3-b][1]benzosilole is sourced from PubChem (CID 153488427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).