4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine

C216H228B3N9 — CID 163869933

About 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine

4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine (PubChem CID 163869933) has the molecular formula C216H228B3N9 and a molecular weight of 2982.70 g/mol. Its IUPAC name is 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine.

Molecular Properties

• Compound Name: 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine
• PubChem CID: 163869933
• Molecular Formula: C216H228B3N9
• Molecular Weight: 2982.70 g/mol
• Exact Mass: 2980.84
• IUPAC Name: 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2N(c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(-c2ccccc2N(c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccccc5-c5ccccc5)c5cccc6ccccc56)cc2c43)cc1
• InChI: InChI=1S/C76H84BN3.C72H76BN3.C68H68BN3/c1-71(2,3)51-28-26-50(27-29-51)61-41-34-56(76(16,17)18)46-67(61)80(64-25-21-23-49-22-19-20-24-60(49)64)59-47-68-70-69(48-59)79(58-39-32-53(33-40-58)73(7,8)9)66-43-36-55(75(13,14)15)45-63(66)77(70)62-44-54(74(10,11)12)35-42-65(62)78(68)57-37-30-52(31-38-57)72(4,5)6;1-68(2,3)49-29-27-48(28-30-49)58-24-18-19-25-61(58)76(62-26-20-22-47-21-16-17-23-57(47)62)56-45-65-67-66(46-56)75(55-39-33-51(34-40-55)70(7,8)9)64-42-36-53(72(13,14)15)44-60(64)73(67)59-43-52(71(10,11)12)35-41-63(59)74(65)54-37-31-50(32-38-54)69(4,5)6;1-65(2,3)47-29-35-51(36-30-47)70-60-39-33-49(67(7,8)9)41-56(60)69-57-42-50(68(10,11)12)34-40-61(57)71(52-37-31-48(32-38-52)66(4,5)6)63-44-53(43-62(70)64(63)69)72(59-28-20-24-46-23-16-17-25-55(46)59)58-27-19-18-26-54(58)45-21-14-13-15-22-45/h19-48H,1-18H3;16-46H,1-15H3;13-44H,1-12H3
• InChIKey: PJXPHYYFIRWBMK-UHFFFAOYSA-N
• XLogP: 55.64
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2982.70
LogP ≤ 5	55.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine?

The IUPAC name of 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine (CID 163869933) is 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine.

What is the SMILES notation for 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine?

The canonical SMILES for 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2N(c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(-c2ccccc2N(c2cc3c4c(c2)N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2B4c2cc(C(C)(C)C)ccc2N3c2ccc(C(C)(C)C)cc2)c2cccc3ccccc23)cc1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccccc5-c5ccccc5)c5cccc6ccccc56)cc2c43)cc1.

What is the InChIKey of 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine?

The InChIKey is PJXPHYYFIRWBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H84BN3.C72H76BN3.C68H68BN3/c1-71(2,3)51-28-26-50(27-29-51)61-41-34-56(76(16,17)18)46-67(61)80(64-25-21-23-49-22-19-20-24-60(49)64)59-47-68-70-69(48-59)79(58-39-32-53(33-40-58)73(7,8)9)66-43-36-55(75(13,14)15)45-63(66)77(70)62-44-54(74(10,11)12)35-42-65(62)78(68)57-37-30-52(31-38-57)72(4,5)6;1-68(2,3)49-29-27-48(28-30-49)58-24-18-19-25-61(58)76(62-26-20-22-47-21-16-17-23-57(47)62)56-45-65-67-66(46-56)75(55-39-33-51(34-40-55)70(7,8)9)64-42-36-53(72(13,14)15)44-60(64)73(67)59-43-52(71(10,11)12)35-41-63(59)74(65)54-37-31-50(32-38-54)69(4,5)6;1-65(2,3)47-29-35-51(36-30-47)70-60-39-33-49(67(7,8)9)41-56(60)69-57-42-50(68(10,11)12)34-40-61(57)71(52-37-31-48(32-38-52)66(4,5)6)63-44-53(43-62(70)64(63)69)72(59-28-20-24-46-23-16-17-25-55(46)59)58-27-19-18-26-54(58)45-21-14-13-15-22-45/h19-48H,1-18H3;16-46H,1-15H3;13-44H,1-12H3.

What are the key properties of 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine?

4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine has a molecular weight of 2982.70 g/mol, XLogP of 55.64, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-[2-(4-tert-butylphenyl)phenyl]-N-naphthalen-1-yl-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-11-amine;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-(2-phenylphenyl)-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-11-amine;4,18-ditert-butyl-N-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-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-11-amine is sourced from PubChem (CID 163869933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).