8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine

C196H174B3N9 — CID 157093980

About 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine

8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine (PubChem CID 157093980) has the molecular formula C196H174B3N9 and a molecular weight of 2688.05 g/mol. Its IUPAC name is 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine.

Molecular Properties

• Compound Name: 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine
• PubChem CID: 157093980
• Molecular Formula: C196H174B3N9
• Molecular Weight: 2688.05 g/mol
• Exact Mass: 2686.42
• IUPAC Name: 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine
• SMILES: CC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc(-c4ccc(C(C)(C)C)cc4)cc4c2B3c2ccc(N(c3ccccc3)c3ccccc3)cc2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2)c2cccc4c2B3c2ccc(N(c3ccccc3)c3ccccc3)cc2N4c2ccc(C(C)(C)C)cc2)cc1.c1ccc(-c2cccc(N3c4cc(-c5ccccc5)ccc4B4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5cccc3c54)c2)cc1
• InChI: InChI=1S/C70H70BN3.C66H46BN3.C60H58BN3/c1-67(2,3)51-28-23-47(24-29-51)49-27-41-60-62(43-49)73(57-36-32-53(33-37-57)69(7,8)9)64-44-50(48-25-30-52(31-26-48)68(4,5)6)45-65-66(64)71(60)61-42-40-59(72(55-19-15-13-16-20-55)56-21-17-14-18-22-56)46-63(61)74(65)58-38-34-54(35-39-58)70(10,11)12;1-7-21-47(22-8-1)51-29-19-34-57(42-51)69-62-35-20-36-63-66(62)67(60-39-37-52(45-64(60)69)48-23-9-2-10-24-48)61-40-38-58(68(55-30-15-5-16-31-55)56-32-17-6-18-33-56)46-65(61)70(63)59-43-53(49-25-11-3-12-26-49)41-54(44-59)50-27-13-4-14-28-50;1-58(2,3)43-26-23-41(24-27-43)42-25-37-51-55(39-42)63(48-32-28-44(29-33-48)59(4,5)6)53-21-16-22-54-57(53)61(51)52-38-36-50(62(46-17-12-10-13-18-46)47-19-14-11-15-20-47)40-56(52)64(54)49-34-30-45(31-35-49)60(7,8)9/h13-46H,1-12H3;1-46H;10-40H,1-9H3
• InChIKey: AEZJVLRTZYRLTM-UHFFFAOYSA-N
• XLogP: 48.47
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2688.05
LogP ≤ 5	48.47
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-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine?

The IUPAC name of 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine (CID 157093980) is 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine.

What is the SMILES notation for 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine?

The canonical SMILES for 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine is CC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2)c2cc(-c4ccc(C(C)(C)C)cc4)cc4c2B3c2ccc(N(c3ccccc3)c3ccccc3)cc2N4c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc(-c2ccc3c(c2)N(c2ccc(C(C)(C)C)cc2)c2cccc4c2B3c2ccc(N(c3ccccc3)c3ccccc3)cc2N4c2ccc(C(C)(C)C)cc2)cc1.c1ccc(-c2cccc(N3c4cc(-c5ccccc5)ccc4B4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5cccc3c54)c2)cc1.

What is the InChIKey of 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine?

The InChIKey is AEZJVLRTZYRLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H70BN3.C66H46BN3.C60H58BN3/c1-67(2,3)51-28-23-47(24-29-51)49-27-41-60-62(43-49)73(57-36-32-53(33-37-57)69(7,8)9)64-44-50(48-25-30-52(31-26-48)68(4,5)6)45-65-66(64)71(60)61-42-40-59(72(55-19-15-13-16-20-55)56-21-17-14-18-22-56)46-63(61)74(65)58-38-34-54(35-39-58)70(10,11)12;1-7-21-47(22-8-1)51-29-19-34-57(42-51)69-62-35-20-36-63-66(62)67(60-39-37-52(45-64(60)69)48-23-9-2-10-24-48)61-40-38-58(68(55-30-15-5-16-31-55)56-32-17-6-18-33-56)46-65(61)70(63)59-43-53(49-25-11-3-12-26-49)41-54(44-59)50-27-13-4-14-28-50;1-58(2,3)43-26-23-41(24-27-43)42-25-37-51-55(39-42)63(48-32-28-44(29-33-48)59(4,5)6)53-21-16-22-54-57(53)61(51)52-38-36-50(62(46-17-12-10-13-18-46)47-19-14-11-15-20-47)40-56(52)64(54)49-34-30-45(31-35-49)60(7,8)9/h13-46H,1-12H3;1-46H;10-40H,1-9H3.

What are the key properties of 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine?

8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine has a molecular weight of 2688.05 g/mol, XLogP of 48.47, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3,5-diphenylphenyl)-N,N,17-triphenyl-14-(3-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-5-amine;8,11,14,17-tetrakis(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine;8,14,17-tris(4-tert-butylphenyl)-N,N-diphenyl-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-5-amine is sourced from PubChem (CID 157093980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).