2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol

C36H29N3OSi — CID 154590095

About 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol

2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol (PubChem CID 154590095) has the molecular formula C36H29N3OSi and a molecular weight of 547.73 g/mol. Its IUPAC name is 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol.

Molecular Properties

• Compound Name: 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol
• PubChem CID: 154590095
• Molecular Formula: C36H29N3OSi
• Molecular Weight: 547.73 g/mol
• Exact Mass: 547.21
• IUPAC Name: 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol
• SMILES: C[Si](C)(c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)n1
• InChI: InChI=1S/C36H29N3OSi/c1-41(2,27-15-7-4-8-16-27)35-24-26(25-13-5-3-6-14-25)23-31(37-35)30-22-21-29-28-17-9-10-18-32(28)39(36(29)38-30)33-19-11-12-20-34(33)40/h3-24,40H,1-2H3
• InChIKey: FVDLMMQIHYPMRH-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.73
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol?

The IUPAC name of 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol (CID 154590095) is 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol.

What is the SMILES notation for 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol?

The canonical SMILES for 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol is C[Si](C)(c1ccccc1)c1cc(-c2ccccc2)cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)n1.

What is the InChIKey of 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol?

The InChIKey is FVDLMMQIHYPMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3OSi/c1-41(2,27-15-7-4-8-16-27)35-24-26(25-13-5-3-6-14-25)23-31(37-35)30-22-21-29-28-17-9-10-18-32(28)39(36(29)38-30)33-19-11-12-20-34(33)40/h3-24,40H,1-2H3.

What are the key properties of 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol?

2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol has a molecular weight of 547.73 g/mol, XLogP of 7.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-[dimethyl(phenyl)silyl]-4-phenyl-2-pyridinyl]pyrido[2,3-b]indol-9-yl]phenol is sourced from PubChem (CID 154590095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).