2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol

C34H33N3OSi — CID 154590001

About 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol

2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol (PubChem CID 154590001) has the molecular formula C34H33N3OSi and a molecular weight of 527.74 g/mol. Its IUPAC name is 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol.

Molecular Properties

• Compound Name: 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol
• PubChem CID: 154590001
• Molecular Formula: C34H33N3OSi
• Molecular Weight: 527.74 g/mol
• Exact Mass: 527.24
• IUPAC Name: 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)cc([Si](C)(C)c2ccccn2)c1
• InChI: InChI=1S/C34H33N3OSi/c1-34(2,3)24-20-23(21-25(22-24)39(4,5)32-16-10-11-19-35-32)28-18-17-27-26-12-6-7-13-29(26)37(33(27)36-28)30-14-8-9-15-31(30)38/h6-22,38H,1-5H3
• InChIKey: XBAQRLYIMDFKKR-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.74
LogP ≤ 5	7.07
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-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol?

The IUPAC name of 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol (CID 154590001) is 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol.

What is the SMILES notation for 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol?

The canonical SMILES for 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol is CC(C)(C)c1cc(-c2ccc3c4ccccc4n(-c4ccccc4O)c3n2)cc([Si](C)(C)c2ccccn2)c1.

What is the InChIKey of 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol?

The InChIKey is XBAQRLYIMDFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3OSi/c1-34(2,3)24-20-23(21-25(22-24)39(4,5)32-16-10-11-19-35-32)28-18-17-27-26-12-6-7-13-29(26)37(33(27)36-28)30-14-8-9-15-31(30)38/h6-22,38H,1-5H3.

What are the key properties of 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol?

2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol has a molecular weight of 527.74 g/mol, XLogP of 7.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-tert-butyl-5-[dimethyl(pyridin-2-yl)silyl]phenyl]pyrido[2,3-b]indol-9-yl]phenol is sourced from PubChem (CID 154590001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).