[4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane

C54H36BNO2Si — CID 170925380

About [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane

[4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane (PubChem CID 170925380) has the molecular formula C54H36BNO2Si and a molecular weight of 769.79 g/mol. Its IUPAC name is [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane
• PubChem CID: 170925380
• Molecular Formula: C54H36BNO2Si
• Molecular Weight: 769.79 g/mol
• Exact Mass: 769.26
• IUPAC Name: [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccc4c(c3)B3c5ccccc5Oc5cccc(c53)O4)c2)cc1
• InChI: InChI=1S/C54H36BNO2Si/c1-4-17-38(18-5-1)59(39-19-6-2-7-20-39,40-21-8-3-9-22-40)41-32-33-49(56-47-26-13-10-23-42(47)43-24-11-14-27-48(43)56)44(36-41)37-31-34-51-46(35-37)55-45-25-12-15-28-50(45)57-52-29-16-30-53(58-51)54(52)55/h1-36H
• InChIKey: SMYCUPSOBSIUSY-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 [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane?

The IUPAC name of [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane (CID 170925380) is [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane.

What is the SMILES notation for [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane?

The canonical SMILES for [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccc4c(c3)B3c5ccccc5Oc5cccc(c53)O4)c2)cc1.

What is the InChIKey of [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane?

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

What are the key properties of [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane?

[4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-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 [4-carbazol-9-yl-3-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 170925380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).