[9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane

About [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane

[9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane (PubChem CID 170546614) has the molecular formula C74H62BNO2Si2 and a molecular weight of 1064.30 g/mol. Its IUPAC name is [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane.

Molecular Properties

Compound Name	[9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane
PubChem CID	170546614
Molecular Formula	C74H62BNO2Si2
Molecular Weight	1064.30 g/mol
Exact Mass	1063.44
IUPAC Name	[9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane
SMILES	CC(C)(C)c1ccc2c(c1)B1c3cc(C(C)(C)C)ccc3Oc3cc(-n4c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)cc(c31)O2
InChI	InChI=1S/C74H62BNO2Si2/c1-73(2,3)51-43-45-64-62(47-51)75-63-48-52(74(4,5)6)44-46-65(63)78-67-50-53(49-66(77-64)70(67)75)76-71-60(39-25-41-68(71)79(54-27-13-7-14-28-54,55-29-15-8-16-30-55)56-31-17-9-18-32-56)61-40-26-42-69(72(61)76)80(57-33-19-10-20-34-57,58-35-21-11-22-36-58)59-37-23-12-24-38-59/h7-50H,1-6H3
InChIKey	WILVVEDOVPHQGT-UHFFFAOYSA-N
XLogP	10.86
TPSA	23.39 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	9
Heavy Atoms	80
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.30
LogP ≤ 5	10.86
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'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane?

The IUPAC name of [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane (CID 170546614) is [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane.

What is the SMILES notation for [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane?

The canonical SMILES for [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane is CC(C)(C)c1ccc2c(c1)B1c3cc(C(C)(C)C)ccc3Oc3cc(-n4c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cccc5c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c54)cc(c31)O2.

What is the InChIKey of [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane?

The InChIKey is WILVVEDOVPHQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62BNO2Si2/c1-73(2,3)51-43-45-64-62(47-51)75-63-48-52(74(4,5)6)44-46-65(63)78-67-50-53(49-66(77-64)70(67)75)76-71-60(39-25-41-68(71)79(54-27-13-7-14-28-54,55-29-15-8-16-30-55)56-31-17-9-18-32-56)61-40-26-42-69(72(61)76)80(57-33-19-10-20-34-57,58-35-21-11-22-36-58)59-37-23-12-24-38-59/h7-50H,1-6H3.

What are the key properties of [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane?

[9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane has a molecular weight of 1064.30 g/mol, XLogP of 10.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [9-(4,18-ditert-butyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)-8-triphenylsilylcarbazol-1-yl]-triphenylsilane is sourced from PubChem (CID 170546614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).