[4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane

C114H84BN3Si4 — CID 168783901

About [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane

[4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane (PubChem CID 168783901) has the molecular formula C114H84BN3Si4 and a molecular weight of 1619.10 g/mol. Its IUPAC name is [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane
• PubChem CID: 168783901
• Molecular Formula: C114H84BN3Si4
• Molecular Weight: 1619.10 g/mol
• Exact Mass: 1617.58
• IUPAC Name: [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4B4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5N(c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1
• InChI: InChI=1S/C114H84BN3Si4/c1-13-41-88(42-14-1)119(89-43-15-2-16-44-89,90-45-17-3-18-46-90)100-73-69-85(70-74-100)116-110-79-77-102(121(94-53-25-7-26-54-94,95-55-27-8-28-56-95)96-57-29-9-30-58-96)83-106(110)115-107-84-103(122(97-59-31-10-32-60-97,98-61-33-11-34-62-98)99-63-35-12-36-64-99)78-80-111(107)117(113-82-87(81-112(116)114(113)115)118-108-67-39-37-65-104(108)105-66-38-40-68-109(105)118)86-71-75-101(76-72-86)120(91-47-19-4-20-48-91,92-49-21-5-22-50-92)93-51-23-6-24-52-93/h1-84H
• InChIKey: NTWOGLDDTRXLCX-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1619.10
LogP ≤ 5	14.38
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-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane (CID 168783901) is [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(N3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4B4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5N(c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1.

What is the InChIKey of [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane?

The InChIKey is NTWOGLDDTRXLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H84BN3Si4/c1-13-41-88(42-14-1)119(89-43-15-2-16-44-89,90-45-17-3-18-46-90)100-73-69-85(70-74-100)116-110-79-77-102(121(94-53-25-7-26-54-94,95-55-27-8-28-56-95)96-57-29-9-30-58-96)83-106(110)115-107-84-103(122(97-59-31-10-32-60-97,98-61-33-11-34-62-98)99-63-35-12-36-64-99)78-80-111(107)117(113-82-87(81-112(116)114(113)115)118-108-67-39-37-65-104(108)105-66-38-40-68-109(105)118)86-71-75-101(76-72-86)120(91-47-19-4-20-48-91,92-49-21-5-22-50-92)93-51-23-6-24-52-93/h1-84H.

What are the key properties of [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane?

[4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane has a molecular weight of 1619.10 g/mol, XLogP of 14.38, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[11-carbazol-9-yl-4,18-bis(triphenylsilyl)-14-(4-triphenylsilylphenyl)-8,14-diaza-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-8-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 168783901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).