N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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

C88H76BN3 — CID 167359772

About N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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 (PubChem CID 167359772) has the molecular formula C88H76BN3 and a molecular weight of 1186.41 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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
• PubChem CID: 167359772
• Molecular Formula: C88H76BN3
• Molecular Weight: 1186.41 g/mol
• Exact Mass: 1185.61
• IUPAC Name: N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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
• SMILES: CC(C)(c1ccccc1)c1ccc(N2c3ccc(C(C)(C)c4ccccc4)cc3B3c4cc(C(C)(C)c5ccccc5)ccc4N(c4ccc(C(C)(C)c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc2c43)cc1
• InChI: InChI=1S/C88H76BN3/c1-85(2,65-28-14-9-15-29-65)69-42-50-75(51-43-69)91-80-54-46-71(87(5,6)67-32-18-11-19-33-67)57-78(80)89-79-58-72(88(7,8)68-34-20-12-21-35-68)47-55-81(79)92(76-52-44-70(45-53-76)86(3,4)66-30-16-10-17-31-66)83-60-77(59-82(91)84(83)89)90(73-36-22-13-23-37-73)74-48-40-62(41-49-74)64-39-38-61-26-24-25-27-63(61)56-64/h9-60H,1-8H3
• InChIKey: CLHCRXFADOGJFV-UHFFFAOYSA-N
• XLogP: 21.36
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.41
LogP ≤ 5	21.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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?

The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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 (CID 167359772) is N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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.

What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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?

The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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 is CC(C)(c1ccccc1)c1ccc(N2c3ccc(C(C)(C)c4ccccc4)cc3B3c4cc(C(C)(C)c5ccccc5)ccc4N(c4ccc(C(C)(C)c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc2c43)cc1.

What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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?

The InChIKey is CLHCRXFADOGJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H76BN3/c1-85(2,65-28-14-9-15-29-65)69-42-50-75(51-43-69)91-80-54-46-71(87(5,6)67-32-18-11-19-33-67)57-78(80)89-79-58-72(88(7,8)68-34-20-12-21-35-68)47-55-81(79)92(76-52-44-70(45-53-76)86(3,4)66-30-16-10-17-31-66)83-60-77(59-82(91)84(83)89)90(73-36-22-13-23-37-73)74-48-40-62(41-49-74)64-39-38-61-26-24-25-27-63(61)56-64/h9-60H,1-8H3.

What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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 has a molecular weight of 1186.41 g/mol, XLogP of 21.36, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-2-ylphenyl)-N-phenyl-4,18-bis(2-phenylpropan-2-yl)-8,14-bis[4-(2-phenylpropan-2-yl)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 is sourced from PubChem (CID 167359772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).