11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine

C196H168B3N9O3 — CID 162158516

About 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine

11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine (PubChem CID 162158516) has the molecular formula C196H168B3N9O3 and a molecular weight of 2730.00 g/mol. Its IUPAC name is 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine.

Molecular Properties

• Compound Name: 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine
• PubChem CID: 162158516
• Molecular Formula: C196H168B3N9O3
• Molecular Weight: 2730.00 g/mol
• Exact Mass: 2728.35
• IUPAC Name: 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccccc2)c2cc(C(C)(C)C)cc4c2B3c2cc3cocc3cc2N4c2ccccc2)c2ccc(C(C)(C)C)cc2-c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)N(c2ccccc2)c2cc(C(C)(C)C)cc4c2B3c2cc3cocc3cc2N4c2ccccc2)c(-c2ccccc2)c1.CC(C)(C)c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)N(c2ccccc2)c2cc(C(C)(C)C)cc4c2B3c2cc3cocc3cc2N4c2ccccc2)cc1
• InChI: InChI=1S/C68H56BN3O.C66H60BN3O.C62H52BN3O/c1-67(2,3)50-32-35-61(58(39-50)46-20-10-7-11-21-46)70(54-29-18-24-47(36-54)57-31-19-23-45-22-16-17-30-56(45)57)55-33-34-59-63(42-55)72(53-27-14-9-15-28-53)65-41-51(68(4,5)6)40-64-66(65)69(59)60-37-48-43-73-44-49(48)38-62(60)71(64)52-25-12-8-13-26-52;1-64(2,3)46-27-30-51(31-28-46)68(58-34-29-47(65(4,5)6)37-55(58)54-26-18-20-43-19-16-17-25-53(43)54)52-32-33-56-60(40-52)70(50-23-14-11-15-24-50)62-39-48(66(7,8)9)38-61-63(62)67(56)57-35-44-41-71-42-45(44)36-59(57)69(61)49-21-12-10-13-22-49;1-61(2,3)45-27-29-49(30-28-45)64(50-24-15-19-42(33-50)53-26-16-18-41-17-13-14-25-52(41)53)51-31-32-54-57(38-51)66(48-22-11-8-12-23-48)59-37-46(62(4,5)6)36-58-60(59)63(54)55-34-43-39-67-40-44(43)35-56(55)65(58)47-20-9-7-10-21-47/h7-44H,1-6H3;10-42H,1-9H3;7-40H,1-6H3
• InChIKey: ZMDPEMNUMQYLNS-UHFFFAOYSA-N
• XLogP: 49.17
• TPSA: 68.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2730.00
LogP ≤ 5	49.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine?

The IUPAC name of 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine (CID 162158516) is 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine.

What is the SMILES notation for 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine?

The canonical SMILES for 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)N(c2ccccc2)c2cc(C(C)(C)C)cc4c2B3c2cc3cocc3cc2N4c2ccccc2)c2ccc(C(C)(C)C)cc2-c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)N(c2ccccc2)c2cc(C(C)(C)C)cc4c2B3c2cc3cocc3cc2N4c2ccccc2)c(-c2ccccc2)c1.CC(C)(C)c1ccc(N(c2cccc(-c3cccc4ccccc34)c2)c2ccc3c(c2)N(c2ccccc2)c2cc(C(C)(C)C)cc4c2B3c2cc3cocc3cc2N4c2ccccc2)cc1.

What is the InChIKey of 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine?

The InChIKey is ZMDPEMNUMQYLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56BN3O.C66H60BN3O.C62H52BN3O/c1-67(2,3)50-32-35-61(58(39-50)46-20-10-7-11-21-46)70(54-29-18-24-47(36-54)57-31-19-23-45-22-16-17-30-56(45)57)55-33-34-59-63(42-55)72(53-27-14-9-15-28-53)65-41-51(68(4,5)6)40-64-66(65)69(59)60-37-48-43-73-44-49(48)38-62(60)71(64)52-25-12-8-13-26-52;1-64(2,3)46-27-30-51(31-28-46)68(58-34-29-47(65(4,5)6)37-55(58)54-26-18-20-43-19-16-17-25-53(43)54)52-32-33-56-60(40-52)70(50-23-14-11-15-24-50)62-39-48(66(7,8)9)38-61-63(62)67(56)57-35-44-41-71-42-45(44)36-59(57)69(61)49-21-12-10-13-22-49;1-61(2,3)45-27-29-49(30-28-45)64(50-24-15-19-42(33-50)53-26-16-18-41-17-13-14-25-52(41)53)51-31-32-54-57(38-51)66(48-22-11-8-12-23-48)59-37-46(62(4,5)6)36-58-60(59)63(54)55-34-43-39-67-40-44(43)35-56(55)65(58)47-20-9-7-10-21-47/h7-44H,1-6H3;10-42H,1-9H3;7-40H,1-6H3.

What are the key properties of 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine?

11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine has a molecular weight of 2730.00 g/mol, XLogP of 49.17, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-tert-butyl-N-(4-tert-butyl-2-naphthalen-1-ylphenyl)-N-(4-tert-butylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine;11-tert-butyl-N-(4-tert-butyl-2-phenylphenyl)-N-(3-naphthalen-1-ylphenyl)-8,14-diphenyl-19-oxa-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17,20,22-decaen-5-amine is sourced from PubChem (CID 162158516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).