8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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

C204H156B3N9 — CID 158370492

About 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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

8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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 (PubChem CID 158370492) has the molecular formula C204H156B3N9 and a molecular weight of 2765.99 g/mol. Its IUPAC name is 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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.

Molecular Properties

• Compound Name: 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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
• PubChem CID: 158370492
• Molecular Formula: C204H156B3N9
• Molecular Weight: 2765.99 g/mol
• Exact Mass: 2764.28
• IUPAC Name: 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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
• SMILES: CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)ccc3B3c4cc(-c5ccccc5)ccc4N(c4ccc(-c5ccccc5)cc4-c4ccc5ccccc5c4)c4cccc2c43)cc1.CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)ccc3B3c4ccc(N(c5ccccc5)c5ccccc5)cc4N(c4ccc(C(C)(C)C)cc4-c4ccc5ccccc5c4)c4cccc2c43)cc1.c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5cc(-c6ccccc6)ccc5N(c5ccc(-c6ccccc6)cc5-c5ccc6ccccc6c5)c5cccc3c54)cc2)cc1
• InChI: InChI=1S/C72H61BN4.C68H52BN3.C64H43BN2/c1-71(2,3)53-36-39-59(40-37-53)76-66-32-21-33-67-70(66)73(63-43-41-60(48-68(63)76)74(55-24-11-7-12-25-55)56-26-13-8-14-27-56)64-44-42-61(75(57-28-15-9-16-29-57)58-30-17-10-18-31-58)49-69(64)77(67)65-45-38-54(72(4,5)6)47-62(65)52-35-34-50-22-19-20-23-51(50)46-52;1-68(2,3)54-35-37-57(38-36-54)71-64-29-18-30-65-67(64)69(60-40-39-58(46-66(60)71)70(55-25-12-6-13-26-55)56-27-14-7-15-28-56)61-45-52(48-21-10-5-11-22-48)34-42-63(61)72(65)62-41-33-51(47-19-8-4-9-20-47)44-59(62)53-32-31-49-23-16-17-24-50(49)43-53;1-5-16-44(17-6-1)49-30-35-55(36-31-49)66-60-38-33-52(46-20-9-3-10-21-46)42-57(60)65-58-43-53(47-22-11-4-12-23-47)34-39-61(58)67(63-27-15-26-62(66)64(63)65)59-37-32-51(45-18-7-2-8-19-45)41-56(59)54-29-28-48-24-13-14-25-50(48)40-54/h7-49H,1-6H3;4-46H,1-3H3;1-43H
• InChIKey: GUNYRXNOISKKKY-UHFFFAOYSA-N
• XLogP: 50.07
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2765.99
LogP ≤ 5	50.07
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 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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?

The IUPAC name of 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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 (CID 158370492) is 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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.

What is the SMILES notation for 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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?

The canonical SMILES for 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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 is CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)ccc3B3c4cc(-c5ccccc5)ccc4N(c4ccc(-c5ccccc5)cc4-c4ccc5ccccc5c4)c4cccc2c43)cc1.CC(C)(C)c1ccc(N2c3cc(N(c4ccccc4)c4ccccc4)ccc3B3c4ccc(N(c5ccccc5)c5ccccc5)cc4N(c4ccc(C(C)(C)C)cc4-c4ccc5ccccc5c4)c4cccc2c43)cc1.c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5cc(-c6ccccc6)ccc5N(c5ccc(-c6ccccc6)cc5-c5ccc6ccccc6c5)c5cccc3c54)cc2)cc1.

What is the InChIKey of 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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?

The InChIKey is GUNYRXNOISKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H61BN4.C68H52BN3.C64H43BN2/c1-71(2,3)53-36-39-59(40-37-53)76-66-32-21-33-67-70(66)73(63-43-41-60(48-68(63)76)74(55-24-11-7-12-25-55)56-26-13-8-14-27-56)64-44-42-61(75(57-28-15-9-16-29-57)58-30-17-10-18-31-58)49-69(64)77(67)65-45-38-54(72(4,5)6)47-62(65)52-35-34-50-22-19-20-23-51(50)46-52;1-68(2,3)54-35-37-57(38-36-54)71-64-29-18-30-65-67(64)69(60-40-39-58(46-66(60)71)70(55-25-12-6-13-26-55)56-27-14-7-15-28-56)61-45-52(48-21-10-5-11-22-48)34-42-63(61)72(65)62-41-33-51(47-19-8-4-9-20-47)44-59(62)53-32-31-49-23-16-17-24-50(49)43-53;1-5-16-44(17-6-1)49-30-35-55(36-31-49)66-60-38-33-52(46-20-9-3-10-21-46)42-57(60)65-58-43-53(47-22-11-4-12-23-47)34-39-61(58)67(63-27-15-26-62(66)64(63)65)59-37-32-51(45-18-7-2-8-19-45)41-56(59)54-29-28-48-24-13-14-25-50(48)40-54/h7-49H,1-6H3;4-46H,1-3H3;1-43H.

What are the key properties of 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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?

8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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 has a molecular weight of 2765.99 g/mol, XLogP of 50.07, 24 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-tert-butyl-2-naphthalen-2-ylphenyl)-14-(4-tert-butylphenyl)-5-N,5-N,17-N,17-N-tetraphenyl-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-5,17-diamine;8-(4-tert-butylphenyl)-14-(2-naphthalen-2-yl-4-phenylphenyl)-N,N,18-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-amine;8-(2-naphthalen-2-yl-4-phenylphenyl)-4,18-diphenyl-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 is sourced from PubChem (CID 158370492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).