N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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

C73H52BN3 — CID 147716323

About N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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

N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 147716323) has the molecular formula C73H52BN3 and a molecular weight of 982.05 g/mol. Its IUPAC name is N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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: N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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: 147716323
• Molecular Formula: C73H52BN3
• Molecular Weight: 982.05 g/mol
• Exact Mass: 981.43
• IUPAC Name: N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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: c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc3c54)cc2)cc1
• InChI: InChI=1S/C73H52BN3/c1-9-25-53(26-10-1)55-41-44-64(45-42-55)76-68-48-43-56(54-27-11-2-12-28-54)49-67(68)74-66-47-46-65(75(61-35-19-6-20-36-61)62-37-21-7-22-38-62)52-69(66)77(63-39-23-8-24-40-63)71-51-60(50-70(76)72(71)74)73(57-29-13-3-14-30-57,58-31-15-4-16-32-58)59-33-17-5-18-34-59/h1-52H
• InChIKey: GVRQTRMJLYCMKE-UHFFFAOYSA-N
• XLogP: 16.96
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.05
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 147716323) is N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 c1ccc(-c2ccc(N3c4ccc(-c5ccccc5)cc4B4c5ccc(N(c6ccccc6)c6ccccc6)cc5N(c5ccccc5)c5cc(C(c6ccccc6)(c6ccccc6)c6ccccc6)cc3c54)cc2)cc1.

What is the InChIKey of N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 GVRQTRMJLYCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52BN3/c1-9-25-53(26-10-1)55-41-44-64(45-42-55)76-68-48-43-56(54-27-11-2-12-28-54)49-67(68)74-66-47-46-65(75(61-35-19-6-20-36-61)62-37-21-7-22-38-62)52-69(66)77(63-39-23-8-24-40-63)71-51-60(50-70(76)72(71)74)73(57-29-13-3-14-30-57,58-31-15-4-16-32-58)59-33-17-5-18-34-59/h1-52H.

What are the key properties of N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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?

N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 982.05 g/mol, XLogP of 16.96, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,8,18-tetraphenyl-14-(4-phenylphenyl)-11-trityl-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 147716323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).