[3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

C62H43N4PSi2 — CID 162482974

About [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane

[3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (PubChem CID 162482974) has the molecular formula C62H43N4PSi2 and a molecular weight of 931.20 g/mol. Its IUPAC name is [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.

Molecular Properties

• Compound Name: [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
• PubChem CID: 162482974
• Molecular Formula: C62H43N4PSi2
• Molecular Weight: 931.20 g/mol
• Exact Mass: 930.28
• IUPAC Name: [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2cccc(-n3c4cc5c(cc4c4cccnc43)Pc3ccccc3[Si]5(c3ccccc3)c3ccccc3)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1
• InChI: InChI=1S/C62H43N4PSi2/c1-5-20-44(21-6-1)68(45-22-7-2-8-23-45,49-34-35-50-51-29-13-14-31-55(51)65-38-37-64-61(65)54(50)40-49)48-28-17-19-43(39-48)66-56-42-60-58(41-53(56)52-30-18-36-63-62(52)66)67-57-32-15-16-33-59(57)69(60,46-24-9-3-10-25-46)47-26-11-4-12-27-47/h1-42,67H
• InChIKey: NVXJXLKZVUNGBN-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.20
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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 [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The IUPAC name of [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane (CID 162482974) is [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane.

What is the SMILES notation for [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The canonical SMILES for [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is c1ccc([Si](c2ccccc2)(c2cccc(-n3c4cc5c(cc4c4cccnc43)Pc3ccccc3[Si]5(c3ccccc3)c3ccccc3)c2)c2ccc3c4ccccc4n4ccnc4c3c2)cc1.

What is the InChIKey of [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

The InChIKey is NVXJXLKZVUNGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N4PSi2/c1-5-20-44(21-6-1)68(45-22-7-2-8-23-45,49-34-35-50-51-29-13-14-31-55(51)65-38-37-64-61(65)54(50)40-49)48-28-17-19-43(39-48)66-56-42-60-58(41-53(56)52-30-18-36-63-62(52)66)67-57-32-15-16-33-59(57)69(60,46-24-9-3-10-25-46)47-26-11-4-12-27-47/h1-42,67H.

What are the key properties of [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane?

[3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane has a molecular weight of 931.20 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(14,14-diphenyl-8,10-diaza-21-phospha-14-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-10-yl)phenyl]-imidazo[1,2-f]phenanthridin-11-yl-diphenylsilane is sourced from PubChem (CID 162482974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).