5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

C65H68BN3Si — CID 158564054

About 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine

5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (PubChem CID 158564054) has the molecular formula C65H68BN3Si and a molecular weight of 930.18 g/mol. Its IUPAC name is 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

Molecular Properties

• Compound Name: 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• PubChem CID: 158564054
• Molecular Formula: C65H68BN3Si
• Molecular Weight: 930.18 g/mol
• Exact Mass: 929.53
• IUPAC Name: 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
• SMILES: CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B3c5c2cc(C(C)(C)C)cc5[Si](C)(c2ccccc2)c2cc(C(C)(C)C)cc(c23)N4c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C65H68BN3Si/c1-62(2,3)43-29-33-49(34-30-43)68-53-37-45(64(7,8)9)39-57-60(53)66-59-55(68)41-51(67(47-23-17-14-18-24-47)48-25-19-15-20-26-48)42-56(59)69(50-35-31-44(32-36-50)63(4,5)6)54-38-46(65(10,11)12)40-58(61(54)66)70(57,13)52-27-21-16-22-28-52/h14-42H,1-13H3
• InChIKey: VLTFFHADVKHGKT-UHFFFAOYSA-N
• XLogP: 13.84
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.18
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The IUPAC name of 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine (CID 158564054) is 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine.

What is the SMILES notation for 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The canonical SMILES for 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)cc4c3B3c5c2cc(C(C)(C)C)cc5[Si](C)(c2ccccc2)c2cc(C(C)(C)C)cc(c23)N4c2ccc(C(C)(C)C)cc2)cc1.

What is the InChIKey of 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

The InChIKey is VLTFFHADVKHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H68BN3Si/c1-62(2,3)43-29-33-49(34-30-43)68-53-37-45(64(7,8)9)39-57-60(53)66-59-55(68)41-51(67(47-23-17-14-18-24-47)48-25-19-15-20-26-48)42-56(59)69(50-35-31-44(32-36-50)63(4,5)6)54-38-46(65(10,11)12)40-58(61(54)66)70(57,13)52-27-21-16-22-28-52/h14-42H,1-13H3.

What are the key properties of 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine?

5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine has a molecular weight of 930.18 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-22-methyl-N,N,22-triphenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine is sourced from PubChem (CID 158564054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).