(5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

C53H38N4SSi — CID 140954374

About (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

(5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (PubChem CID 140954374) has the molecular formula C53H38N4SSi and a molecular weight of 791.07 g/mol. Its IUPAC name is (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.

Molecular Properties

• Compound Name: (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
• PubChem CID: 140954374
• Molecular Formula: C53H38N4SSi
• Molecular Weight: 791.07 g/mol
• Exact Mass: 790.26
• IUPAC Name: (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
• SMILES: CC1(C)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2c1ccc1c2sc2ccccc21
• InChI: InChI=1S/C53H38N4SSi/c1-53(2)44-28-25-38(34-47(44)57(49-23-13-14-30-54-49)50-45(53)29-27-42-41-20-10-12-22-48(41)58-51(42)50)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-32-31-55-52(56)43(39)33-37/h3-34H,1-2H3
• InChIKey: QWGHMBMWRPKRIE-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 33.43 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.07
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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 (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The IUPAC name of (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (CID 140954374) is (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.

What is the SMILES notation for (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The canonical SMILES for (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is CC1(C)c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n5ccnc5c4c3)cc2N(c2ccccn2)c2c1ccc1c2sc2ccccc21.

What is the InChIKey of (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The InChIKey is QWGHMBMWRPKRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4SSi/c1-53(2)44-28-25-38(34-47(44)57(49-23-13-14-30-54-49)50-45(53)29-27-42-41-20-10-12-22-48(41)58-51(42)50)59(35-15-5-3-6-16-35,36-17-7-4-8-18-36)37-24-26-39-40-19-9-11-21-46(40)56-32-31-55-52(56)43(39)33-37/h3-34H,1-2H3.

What are the key properties of (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

(5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane has a molecular weight of 791.07 g/mol, XLogP of 10.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5,5-dimethyl-13-pyridin-2-yl-[1]benzothiolo[3,2-c]acridin-2-yl)-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is sourced from PubChem (CID 140954374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).