[3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane

C54H36BNO2Si — CID 170925410

About [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane

[3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane (PubChem CID 170925410) has the molecular formula C54H36BNO2Si and a molecular weight of 769.79 g/mol. Its IUPAC name is [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane
• PubChem CID: 170925410
• Molecular Formula: C54H36BNO2Si
• Molecular Weight: 769.79 g/mol
• Exact Mass: 769.26
• IUPAC Name: [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc4c5c(c3)Oc3ccccc3B5c3ccccc3O4)c(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C54H36BNO2Si/c1-4-18-38(19-5-1)59(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-32-33-42(49(36-41)56-47-28-14-10-24-43(47)44-25-11-15-29-48(44)56)37-34-52-54-53(35-37)58-51-31-17-13-27-46(51)55(54)45-26-12-16-30-50(45)57-52/h1-36H
• InChIKey: FDOLDIONJJAMBN-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.79
LogP ≤ 5	8.56
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 [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane?

The IUPAC name of [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane (CID 170925410) is [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane.

What is the SMILES notation for [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane?

The canonical SMILES for [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-c3cc4c5c(c3)Oc3ccccc3B5c3ccccc3O4)c(-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane?

The InChIKey is FDOLDIONJJAMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36BNO2Si/c1-4-18-38(19-5-1)59(39-20-6-2-7-21-39,40-22-8-3-9-23-40)41-32-33-42(49(36-41)56-47-28-14-10-24-43(47)44-25-11-15-29-48(44)56)37-34-52-54-53(35-37)58-51-31-17-13-27-46(51)55(54)45-26-12-16-30-50(45)57-52/h1-36H.

What are the key properties of [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane?

[3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane has a molecular weight of 769.79 g/mol, XLogP of 8.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-carbazol-9-yl-4-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 170925410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).