imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane

C50H32N4SSi — CID 140954071

About imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane

imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane (PubChem CID 140954071) has the molecular formula C50H32N4SSi and a molecular weight of 748.99 g/mol. Its IUPAC name is imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane.

Molecular Properties

• Compound Name: imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane
• PubChem CID: 140954071
• Molecular Formula: C50H32N4SSi
• Molecular Weight: 748.99 g/mol
• Exact Mass: 748.21
• IUPAC Name: imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccc3c4ccccc4n4ccnc4c3c2)c2ccc3c4ccc5c6ccccc6sc5c4n(-c4ccccn4)c3c2)cc1
• InChI: InChI=1S/C50H32N4SSi/c1-3-13-33(14-4-1)56(34-15-5-2-6-16-34,35-22-24-37-38-17-7-9-19-44(38)53-30-29-52-50(53)43(37)31-35)36-23-25-39-41-26-27-42-40-18-8-10-20-46(40)55-49(42)48(41)54(45(39)32-36)47-21-11-12-28-51-47/h1-32H
• InChIKey: DOGVVLLJWKUYOB-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 35.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.99
LogP ≤ 5	9.88
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 imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane?

The IUPAC name of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane (CID 140954071) is imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane.

What is the SMILES notation for imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane?

The canonical SMILES for imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane is c1ccc([Si](c2ccccc2)(c2ccc3c4ccccc4n4ccnc4c3c2)c2ccc3c4ccc5c6ccccc6sc5c4n(-c4ccccn4)c3c2)cc1.

What is the InChIKey of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane?

The InChIKey is DOGVVLLJWKUYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4SSi/c1-3-13-33(14-4-1)56(34-15-5-2-6-16-34,35-22-24-37-38-17-7-9-19-44(38)53-30-29-52-50(53)43(37)31-35)36-23-25-39-41-26-27-42-40-18-8-10-20-46(40)55-49(42)48(41)54(45(39)32-36)47-21-11-12-28-51-47/h1-32H.

What are the key properties of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane?

imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane has a molecular weight of 748.99 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[2,3-a]carbazol-2-yl)silane is sourced from PubChem (CID 140954071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).