[4-[11-carbazol-9-yl-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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

C103H76BN3Si3 — CID 168783687

About [4-[11-carbazol-9-yl-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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 168783687) has the molecular formula C103H76BN3Si3 and a molecular weight of 1450.83 g/mol. Its IUPAC name is [4-[11-carbazol-9-yl-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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: 168783687
• Molecular Formula: C103H76BN3Si3
• Molecular Weight: 1450.83 g/mol
• Exact Mass: 1449.54
• IUPAC Name: [4-[11-carbazol-9-yl-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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: Cc1ccc(-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/C103H76BN3Si3/c1-75-55-57-76(58-56-75)77-59-61-78(62-60-77)105-99-69-67-91(109(84-39-17-5-18-40-84,85-41-19-6-20-42-85)86-43-21-7-22-44-86)73-95(99)104-96-74-92(110(87-45-23-8-24-46-87,88-47-25-9-26-48-88)89-49-27-10-28-50-89)68-70-100(96)106(102-72-80(71-101(105)103(102)104)107-97-53-31-29-51-93(97)94-52-30-32-54-98(94)107)79-63-65-90(66-64-79)108(81-33-11-2-12-34-81,82-35-13-3-14-36-82)83-37-15-4-16-38-83/h2-74H,1H3
• InChIKey: ZOOITZBGPDXQRB-UHFFFAOYSA-N
• XLogP: 14.97
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1450.83
LogP ≤ 5	14.97
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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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 168783687) is [4-[11-carbazol-9-yl-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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 Cc1ccc(-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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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 ZOOITZBGPDXQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H76BN3Si3/c1-75-55-57-76(58-56-75)77-59-61-78(62-60-77)105-99-69-67-91(109(84-39-17-5-18-40-84,85-41-19-6-20-42-85)86-43-21-7-22-44-86)73-95(99)104-96-74-92(110(87-45-23-8-24-46-87,88-47-25-9-26-48-88)89-49-27-10-28-50-89)68-70-100(96)106(102-72-80(71-101(105)103(102)104)107-97-53-31-29-51-93(97)94-52-30-32-54-98(94)107)79-63-65-90(66-64-79)108(81-33-11-2-12-34-81,82-35-13-3-14-36-82)83-37-15-4-16-38-83/h2-74H,1H3.

What are the key properties of [4-[11-carbazol-9-yl-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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 1450.83 g/mol, XLogP of 14.97, 16 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-14-[4-(4-methylphenyl)phenyl]-4,18-bis(triphenylsilyl)-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 168783687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).