8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine

C65H54BN3Si — CID 162496949

About 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine

8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine (PubChem CID 162496949) has the molecular formula C65H54BN3Si and a molecular weight of 916.07 g/mol. Its IUPAC name is 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine.

Molecular Properties

• Compound Name: 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine
• PubChem CID: 162496949
• Molecular Formula: C65H54BN3Si
• Molecular Weight: 916.07 g/mol
• Exact Mass: 915.42
• IUPAC Name: 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine
• SMILES: Cc1ccc(N2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3B3c4ccc(N(c5ccccc5)c5ccccc5)cc4N(c4ccc(C)cc4C)c4cc(C)cc2c43)c(C)c1
• InChI: InChI=1S/C65H54BN3Si/c1-45-31-36-59(48(4)39-45)68-61-38-34-56(70(53-25-15-8-16-26-53,54-27-17-9-18-28-54)55-29-19-10-20-30-55)44-58(61)66-57-35-33-52(67(50-21-11-6-12-22-50)51-23-13-7-14-24-51)43-62(57)69(60-37-32-46(2)40-49(60)5)64-42-47(3)41-63(68)65(64)66/h6-44H,1-5H3
• InChIKey: DUMKOHTZUUCNBL-UHFFFAOYSA-N
• XLogP: 12.16
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.07
LogP ≤ 5	12.16
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 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine?

The IUPAC name of 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine (CID 162496949) is 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine.

What is the SMILES notation for 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine?

The canonical SMILES for 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine is Cc1ccc(N2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3B3c4ccc(N(c5ccccc5)c5ccccc5)cc4N(c4ccc(C)cc4C)c4cc(C)cc2c43)c(C)c1.

What is the InChIKey of 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine?

The InChIKey is DUMKOHTZUUCNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H54BN3Si/c1-45-31-36-59(48(4)39-45)68-61-38-34-56(70(53-25-15-8-16-26-53,54-27-17-9-18-28-54)55-29-19-10-20-30-55)44-58(61)66-57-35-33-52(67(50-21-11-6-12-22-50)51-23-13-7-14-24-51)43-62(57)69(60-37-32-46(2)40-49(60)5)64-42-47(3)41-63(68)65(64)66/h6-44H,1-5H3.

What are the key properties of 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine?

8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine has a molecular weight of 916.07 g/mol, XLogP of 12.16, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(2,4-dimethylphenyl)-11-methyl-N,N-diphenyl-18-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-5-amine is sourced from PubChem (CID 162496949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).