13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine

C35H30BNOSi — CID 168759545

About 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine

13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine (PubChem CID 168759545) has the molecular formula C35H30BNOSi and a molecular weight of 519.53 g/mol. Its IUPAC name is 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine.

Molecular Properties

• Compound Name: 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
• PubChem CID: 168759545
• Molecular Formula: C35H30BNOSi
• Molecular Weight: 519.53 g/mol
• Exact Mass: 519.22
• IUPAC Name: 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
• SMILES: CC1(C)c2ccccc2N(B2c3ccccc3[Si](C)(C)c3ccccc32)c2c1ccc1c2oc2ccccc21
• InChI: InChI=1S/C35H30BNOSi/c1-35(2)25-14-6-9-17-29(25)37(33-26(35)22-21-24-23-13-5-10-18-30(23)38-34(24)33)36-27-15-7-11-19-31(27)39(3,4)32-20-12-8-16-28(32)36/h5-22H,1-4H3
• InChIKey: YDNAHIARAYPJRV-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.53
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?

The IUPAC name of 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine (CID 168759545) is 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine.

What is the SMILES notation for 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?

The canonical SMILES for 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine is CC1(C)c2ccccc2N(B2c3ccccc3[Si](C)(C)c3ccccc32)c2c1ccc1c2oc2ccccc21.

What is the InChIKey of 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?

The InChIKey is YDNAHIARAYPJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30BNOSi/c1-35(2)25-14-6-9-17-29(25)37(33-26(35)22-21-24-23-13-5-10-18-30(23)38-34(24)33)36-27-15-7-11-19-31(27)39(3,4)32-20-12-8-16-28(32)36/h5-22H,1-4H3.

What are the key properties of 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine?

13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine has a molecular weight of 519.53 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine is sourced from PubChem (CID 168759545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).