[2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane

C60H51BN4Si2 — CID 177115184

About [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane

[2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane (PubChem CID 177115184) has the molecular formula C60H51BN4Si2 and a molecular weight of 895.08 g/mol. Its IUPAC name is [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane
• PubChem CID: 177115184
• Molecular Formula: C60H51BN4Si2
• Molecular Weight: 895.08 g/mol
• Exact Mass: 894.37
• IUPAC Name: [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane
• SMILES: C[Si](C)(C)c1ccccc1N1c2ccc(-n3c4ccccc4c4ccccc43)cc2B2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3ccccc3[Si](C)(C)C)c3cccc1c32
• InChI: InChI=1S/C60H51BN4Si2/c1-66(2,3)58-32-17-15-28-54(58)64-52-36-34-40(62-48-24-11-7-20-42(48)43-21-8-12-25-49(43)62)38-46(52)61-47-39-41(63-50-26-13-9-22-44(50)45-23-10-14-27-51(45)63)35-37-53(47)65(57-31-19-30-56(64)60(57)61)55-29-16-18-33-59(55)67(4,5)6/h7-39H,1-6H3
• InChIKey: IFEKJMKKLSZSBQ-UHFFFAOYSA-N
• XLogP: 13.05
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.08
LogP ≤ 5	13.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane?

The IUPAC name of [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane (CID 177115184) is [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane.

What is the SMILES notation for [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane?

The canonical SMILES for [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccccc1N1c2ccc(-n3c4ccccc4c4ccccc43)cc2B2c3cc(-n4c5ccccc5c5ccccc54)ccc3N(c3ccccc3[Si](C)(C)C)c3cccc1c32.

What is the InChIKey of [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane?

The InChIKey is IFEKJMKKLSZSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51BN4Si2/c1-66(2,3)58-32-17-15-28-54(58)64-52-36-34-40(62-48-24-11-7-20-42(48)43-21-8-12-25-49(43)62)38-46(52)61-47-39-41(63-50-26-13-9-22-44(50)45-23-10-14-27-51(45)63)35-37-53(47)65(57-31-19-30-56(64)60(57)61)55-29-16-18-33-59(55)67(4,5)6/h7-39H,1-6H3.

What are the key properties of [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane?

[2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane has a molecular weight of 895.08 g/mol, XLogP of 13.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4,18-di(carbazol-9-yl)-14-(2-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177115184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).