[3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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

C102H74BN3Si3 — CID 168783902

About [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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

[3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 168783902) has the molecular formula C102H74BN3Si3 and a molecular weight of 1436.81 g/mol. Its IUPAC name is [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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: [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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: 168783902
• Molecular Formula: C102H74BN3Si3
• Molecular Weight: 1436.81 g/mol
• Exact Mass: 1435.53
• IUPAC Name: [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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: c1ccc(-c2ccc(N3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4B4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5N(c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1
• InChI: InChI=1S/C102H74BN3Si3/c1-11-36-75(37-12-1)76-62-64-77(65-63-76)104-98-68-66-90(108(83-45-19-5-20-46-83,84-47-21-6-22-48-84)85-49-23-7-24-50-85)73-94(98)103-95-74-91(109(86-51-25-8-26-52-86,87-53-27-9-28-54-87)88-55-29-10-30-56-88)67-69-99(95)105(101-72-79(71-100(104)102(101)103)106-96-60-33-31-58-92(96)93-59-32-34-61-97(93)106)78-38-35-57-89(70-78)107(80-39-13-2-14-40-80,81-41-15-3-16-42-81)82-43-17-4-18-44-82/h1-74H
• InChIKey: SCRATFKZOIPFTL-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1436.81
LogP ≤ 5	14.67
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-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 168783902) is [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 c1ccc(-c2ccc(N3c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4B4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5N(c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c5cc(-n6c7ccccc7c7ccccc76)cc3c54)cc2)cc1.

What is the InChIKey of [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 SCRATFKZOIPFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H74BN3Si3/c1-11-36-75(37-12-1)76-62-64-77(65-63-76)104-98-68-66-90(108(83-45-19-5-20-46-83,84-47-21-6-22-48-84)85-49-23-7-24-50-85)73-94(98)103-95-74-91(109(86-51-25-8-26-52-86,87-53-27-9-28-54-87)88-55-29-10-30-56-88)67-69-99(95)105(101-72-79(71-100(104)102(101)103)106-96-60-33-31-58-92(96)93-59-32-34-61-97(93)106)78-38-35-57-89(70-78)107(80-39-13-2-14-40-80,81-41-15-3-16-42-81)82-43-17-4-18-44-82/h1-74H.

What are the key properties of [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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?

[3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 1436.81 g/mol, XLogP of 14.67, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[11-carbazol-9-yl-14-(4-phenylphenyl)-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 168783902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).