8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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

C206H169B3N10 — CID 160990788

About 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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

8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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 (PubChem CID 160990788) has the molecular formula C206H169B3N10 and a molecular weight of 2817.12 g/mol. Its IUPAC name is 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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.

Molecular Properties

• Compound Name: 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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
• PubChem CID: 160990788
• Molecular Formula: C206H169B3N10
• Molecular Weight: 2817.12 g/mol
• Exact Mass: 2815.38
• IUPAC Name: 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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
• SMILES: CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4ccc(C(C)(C)C)cc4N(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)cc2c43)cc1.CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)ccc3B3c4cc(-c5ccccc5)ccc4N(c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)cc2c43)cc1.c1ccc(-c2ccc(N3c4cc(-c5ccccc5)ccc4B4c5ccc(-c6ccccc6)cc5N(c5ccc(-c6ccccc6)cc5)c5cc(N(c6ccccc6)c6cccc7ccccc67)cc3c54)cc2)cc1
• InChI: InChI=1S/C74H57BN4.C70H48BN3.C62H64BN3/c1-74(2,3)57-39-43-62(44-40-57)79-70-49-63(76(58-28-13-6-14-29-58)59-30-15-7-16-31-59)45-46-66(70)75-67-48-56(53-24-11-5-12-25-53)38-47-69(67)78(61-41-36-54(37-42-61)52-22-9-4-10-23-52)71-50-64(51-72(79)73(71)75)77(60-32-17-8-18-33-60)68-35-21-27-55-26-19-20-34-65(55)68;1-6-19-49(20-7-1)53-33-39-59(40-34-53)73-66-45-56(51-23-10-3-11-24-51)37-43-63(66)71-64-44-38-57(52-25-12-4-13-26-52)46-67(64)74(60-41-35-54(36-42-60)50-21-8-2-9-22-50)69-48-61(47-68(73)70(69)71)72(58-29-14-5-15-30-58)65-32-18-28-55-27-16-17-31-62(55)65;1-59(2,3)42-25-31-47(32-26-42)65-54-37-44(61(7,8)9)29-35-51(54)63-52-36-30-45(62(10,11)12)38-55(52)66(48-33-27-43(28-34-48)60(4,5)6)57-40-49(39-56(65)58(57)63)64(46-21-14-13-15-22-46)53-24-18-20-41-19-16-17-23-50(41)53/h4-51H,1-3H3;1-48H;13-40H,1-12H3
• InChIKey: TUPBUCUVYOCZIT-UHFFFAOYSA-N
• XLogP: 51.14
• TPSA: 32.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2817.12
LogP ≤ 5	51.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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?

The IUPAC name of 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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 (CID 160990788) is 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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.

What is the SMILES notation for 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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?

The canonical SMILES for 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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 is CC(C)(C)c1ccc(N2c3cc(C(C)(C)C)ccc3B3c4ccc(C(C)(C)C)cc4N(c4ccc(C(C)(C)C)cc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)cc2c43)cc1.CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)ccc3B3c4cc(-c5ccccc5)ccc4N(c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)cc2c43)cc1.c1ccc(-c2ccc(N3c4cc(-c5ccccc5)ccc4B4c5ccc(-c6ccccc6)cc5N(c5ccc(-c6ccccc6)cc5)c5cc(N(c6ccccc6)c6cccc7ccccc67)cc3c54)cc2)cc1.

What is the InChIKey of 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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?

The InChIKey is TUPBUCUVYOCZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H57BN4.C70H48BN3.C62H64BN3/c1-74(2,3)57-39-43-62(44-40-57)79-70-49-63(76(58-28-13-6-14-29-58)59-30-15-7-16-31-59)45-46-66(70)75-67-48-56(53-24-11-5-12-25-53)38-47-69(67)78(61-41-36-54(37-42-61)52-22-9-4-10-23-52)71-50-64(51-72(79)73(71)75)77(60-32-17-8-18-33-60)68-35-21-27-55-26-19-20-34-65(55)68;1-6-19-49(20-7-1)53-33-39-59(40-34-53)73-66-45-56(51-23-10-3-11-24-51)37-43-63(66)71-64-44-38-57(52-25-12-4-13-26-52)46-67(64)74(60-41-35-54(36-42-60)50-21-8-2-9-22-50)69-48-61(47-68(73)70(69)71)72(58-29-14-5-15-30-58)65-32-18-28-55-27-16-17-31-62(55)65;1-59(2,3)42-25-31-47(32-26-42)65-54-37-44(61(7,8)9)29-35-51(54)63-52-36-30-45(62(10,11)12)38-55(52)66(48-33-27-43(28-34-48)60(4,5)6)57-40-49(39-56(65)58(57)63)64(46-21-14-13-15-22-46)53-24-18-20-41-19-16-17-23-50(41)53/h4-51H,1-3H3;1-48H;13-40H,1-12H3.

What are the key properties of 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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?

8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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 has a molecular weight of 2817.12 g/mol, XLogP of 51.14, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butylphenyl)-11-N-naphthalen-1-yl-5-N,5-N,11-N,18-tetraphenyl-14-(4-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-nonaene-5,11-diamine;5,17-ditert-butyl-8,14-bis(4-tert-butylphenyl)-N-naphthalen-1-yl-N-phenyl-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;N-naphthalen-1-yl-N,5,17-triphenyl-8,14-bis(4-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 is sourced from PubChem (CID 160990788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).