imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane

C68H47N5Si2 — CID 140953410

About imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane

imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane (PubChem CID 140953410) has the molecular formula C68H47N5Si2 and a molecular weight of 990.33 g/mol. Its IUPAC name is imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane.

Molecular Properties

• Compound Name: imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane
• PubChem CID: 140953410
• Molecular Formula: C68H47N5Si2
• Molecular Weight: 990.33 g/mol
• Exact Mass: 989.34
• IUPAC Name: imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane
• SMILES: c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3c2ccc2c3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n6ccnc6c5c4)cc3n2-c2ccccn2)cc1
• InChI: InChI=1S/C68H47N5Si2/c1-6-22-48(23-7-1)72-60-34-18-19-35-64(60)75(51-28-12-4-13-29-51,52-30-14-5-15-31-52)67-62(72)42-41-61-66(67)57-40-38-54(47-63(57)73(61)65-36-20-21-43-69-65)74(49-24-8-2-9-25-49,50-26-10-3-11-27-50)53-37-39-55-56-32-16-17-33-59(56)71-45-44-70-68(71)58(55)46-53/h1-47H
• InChIKey: WJWJTUJKYXYFSK-UHFFFAOYSA-N
• XLogP: 10.67
• TPSA: 38.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.33
LogP ≤ 5	10.67
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-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane?

The IUPAC name of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane (CID 140953410) is imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane.

What is the SMILES notation for imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane?

The canonical SMILES for imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane is c1ccc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3c2ccc2c3c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n6ccnc6c5c4)cc3n2-c2ccccn2)cc1.

What is the InChIKey of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane?

The InChIKey is WJWJTUJKYXYFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N5Si2/c1-6-22-48(23-7-1)72-60-34-18-19-35-64(60)75(51-28-12-4-13-29-51,52-30-14-5-15-31-52)67-62(72)42-41-61-66(67)57-40-38-54(47-63(57)73(61)65-36-20-21-43-69-65)74(49-24-8-2-9-25-49,50-26-10-3-11-27-50)53-37-39-55-56-32-16-17-33-59(56)71-45-44-70-68(71)58(55)46-53/h1-47H.

What are the key properties of imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane?

imidazo[1,2-f]phenanthridin-11-yl-diphenyl-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane has a molecular weight of 990.33 g/mol, XLogP of 10.67, 8 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-(5,13,13-triphenyl-8-pyridin-2-yl-[1,4]benzazasilino[3,2-g]carbazol-10-yl)silane is sourced from PubChem (CID 140953410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).