carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane

C54H38BN3Si — CID 171767009

About carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane

carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane (PubChem CID 171767009) has the molecular formula C54H38BN3Si and a molecular weight of 767.82 g/mol. Its IUPAC name is carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane.

Molecular Properties

• Compound Name: carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane
• PubChem CID: 171767009
• Molecular Formula: C54H38BN3Si
• Molecular Weight: 767.82 g/mol
• Exact Mass: 767.29
• IUPAC Name: carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane
• SMILES: c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c([Si](c5ccccc5)(c5ccccc5)n5c6ccccc6c6ccccc65)ccc2c43)cc1
• InChI: InChI=1S/C54H38BN3Si/c1-5-21-39(22-6-1)56-49-35-19-15-31-45(49)55-46-32-16-20-36-50(46)57(40-23-7-2-8-24-40)54-52(38-37-51(56)53(54)55)59(41-25-9-3-10-26-41,42-27-11-4-12-28-42)58-47-33-17-13-29-43(47)44-30-14-18-34-48(44)58/h1-38H
• InChIKey: XUEMJCLAIFRXGN-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.82
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane?

The IUPAC name of carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane (CID 171767009) is carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane.

What is the SMILES notation for carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane?

The canonical SMILES for carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane is c1ccc(N2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c([Si](c5ccccc5)(c5ccccc5)n5c6ccccc6c6ccccc65)ccc2c43)cc1.

What is the InChIKey of carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane?

The InChIKey is XUEMJCLAIFRXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38BN3Si/c1-5-21-39(22-6-1)56-49-35-19-15-31-45(49)55-46-32-16-20-36-50(46)57(40-23-7-2-8-24-40)54-52(38-37-51(56)53(54)55)59(41-25-9-3-10-26-41,42-27-11-4-12-28-42)58-47-33-17-13-29-43(47)44-30-14-18-34-48(44)58/h1-38H.

What are the key properties of carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane?

carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane has a molecular weight of 767.82 g/mol, XLogP of 9.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbazol-9-yl-(8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-10-yl)-diphenylsilane is sourced from PubChem (CID 171767009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).