N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine

C68H59BN2Si — CID 162701004

About N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine

N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine (PubChem CID 162701004) has the molecular formula C68H59BN2Si and a molecular weight of 943.13 g/mol. Its IUPAC name is N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine.

Molecular Properties

• Compound Name: N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine
• PubChem CID: 162701004
• Molecular Formula: C68H59BN2Si
• Molecular Weight: 943.13 g/mol
• Exact Mass: 942.45
• IUPAC Name: N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine
• SMILES: CC(C)(C)c1ccc(-c2cc3c4c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2B4c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc2N3c2ccc(-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C68H59BN2Si/c1-67(2,3)52-35-31-50(32-36-52)51-45-63-66-65(46-51)72(58-25-15-9-16-26-58,59-27-17-10-18-28-59)64-30-20-19-29-60(64)69(66)61-47-57(70(54-23-13-8-14-24-54)55-41-37-53(38-42-55)68(4,5)6)43-44-62(61)71(63)56-39-33-49(34-40-56)48-21-11-7-12-22-48/h7-47H,1-6H3
• InChIKey: PLNCHPNMDDTOCQ-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.13
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The IUPAC name of N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine (CID 162701004) is N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine.

What is the SMILES notation for N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The canonical SMILES for N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine is CC(C)(C)c1ccc(-c2cc3c4c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2B4c2cc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)ccc2N3c2ccc(-c3ccccc3)cc2)cc1.

What is the InChIKey of N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

The InChIKey is PLNCHPNMDDTOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H59BN2Si/c1-67(2,3)52-35-31-50(32-36-52)51-45-63-66-65(46-51)72(58-25-15-9-16-26-58,59-27-17-10-18-28-59)64-30-20-19-29-60(64)69(66)61-47-57(70(54-23-13-8-14-24-54)55-41-37-53(38-42-55)68(4,5)6)43-44-62(61)71(63)56-39-33-49(34-40-56)48-21-11-7-12-22-48/h7-47H,1-6H3.

What are the key properties of N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine?

N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine has a molecular weight of 943.13 g/mol, XLogP of 13.08, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N,11-bis(4-tert-butylphenyl)-N,14,14-triphenyl-8-(4-phenylphenyl)-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-4-amine is sourced from PubChem (CID 162701004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).