[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane

C58H60B2Si — CID 140727450

About [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane

[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane (PubChem CID 140727450) has the molecular formula C58H60B2Si and a molecular weight of 806.83 g/mol. Its IUPAC name is [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane.

Molecular Properties

• Compound Name: [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane
• PubChem CID: 140727450
• Molecular Formula: C58H60B2Si
• Molecular Weight: 806.83 g/mol
• Exact Mass: 806.47
• IUPAC Name: [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane
• SMILES: Cc1cc(C)c(B(c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc24)c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C58H60B2Si/c1-33-22-37(5)55(38(6)23-33)59(56-39(7)24-34(2)25-40(56)8)46-19-18-45-30-51-48-21-20-47(32-53(48)61(13,14)52-17-15-16-49(54(51)52)50(45)31-46)60(57-41(9)26-35(3)27-42(57)10)58-43(11)28-36(4)29-44(58)12/h15-32H,1-14H3
• InChIKey: ASUOMVHDFJZCOB-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.83
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane?

The IUPAC name of [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane (CID 140727450) is [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane.

What is the SMILES notation for [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane?

The canonical SMILES for [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane is Cc1cc(C)c(B(c2ccc3c(c2)[Si](C)(C)c2cccc4c2c-3cc2ccc(B(c3c(C)cc(C)cc3C)c3c(C)cc(C)cc3C)cc24)c2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane?

The InChIKey is ASUOMVHDFJZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60B2Si/c1-33-22-37(5)55(38(6)23-33)59(56-39(7)24-34(2)25-40(56)8)46-19-18-45-30-51-48-21-20-47(32-53(48)61(13,14)52-17-15-16-49(54(51)52)50(45)31-46)60(57-41(9)26-35(3)27-42(57)10)58-43(11)28-36(4)29-44(58)12/h15-32H,1-14H3.

What are the key properties of [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane?

[5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane has a molecular weight of 806.83 g/mol, XLogP of 9.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [5-bis(2,4,6-trimethylphenyl)boranyl-8,8-dimethyl-8-silapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaen-16-yl]-bis(2,4,6-trimethylphenyl)borane is sourced from PubChem (CID 140727450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).