18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine

C69H64BN3 — CID 167395086

About 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine

18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine (PubChem CID 167395086) has the molecular formula C69H64BN3 and a molecular weight of 946.10 g/mol. Its IUPAC name is 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine.

Molecular Properties

• Compound Name: 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine
• PubChem CID: 167395086
• Molecular Formula: C69H64BN3
• Molecular Weight: 946.10 g/mol
• Exact Mass: 945.52
• IUPAC Name: 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine
• SMILES: Cc1cc(-c2ccccc2)ccc1N1c2cc(-c3ccccc3)ccc2B2c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)CC5(C)C)c3cc(N(c5ccccc5)c5ccccc5)cc1c32)C(C)(C)CC4(C)C
• InChI: InChI=1S/C69H64BN3/c1-45-36-48(46-22-14-10-15-23-46)31-35-60(45)73-61-37-49(47-24-16-11-17-25-47)30-34-58(61)70-59-41-56-57(69(8,9)44-68(56,6)7)42-62(59)72(52-32-33-54-55(38-52)67(4,5)43-66(54,2)3)63-39-53(40-64(73)65(63)70)71(50-26-18-12-19-27-50)51-28-20-13-21-29-51/h10-42H,43-44H2,1-9H3
• InChIKey: ONKDFARKZOWUCO-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.10
LogP ≤ 5	16.80
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 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine?

The IUPAC name of 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine (CID 167395086) is 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine.

What is the SMILES notation for 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine?

The canonical SMILES for 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine is Cc1cc(-c2ccccc2)ccc1N1c2cc(-c3ccccc3)ccc2B2c3cc4c(cc3N(c3ccc5c(c3)C(C)(C)CC5(C)C)c3cc(N(c5ccccc5)c5ccccc5)cc1c32)C(C)(C)CC4(C)C.

What is the InChIKey of 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine?

The InChIKey is ONKDFARKZOWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H64BN3/c1-45-36-48(46-22-14-10-15-23-46)31-35-60(45)73-61-37-49(47-24-16-11-17-25-47)30-34-58(61)70-59-41-56-57(69(8,9)44-68(56,6)7)42-62(59)72(52-32-33-54-55(38-52)67(4,5)43-66(54,2)3)63-39-53(40-64(73)65(63)70)71(50-26-18-12-19-27-50)51-28-20-13-21-29-51/h10-42H,43-44H2,1-9H3.

What are the key properties of 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine?

18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine has a molecular weight of 946.10 g/mol, XLogP of 16.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18,18,20,20-tetramethyl-8-(2-methyl-4-phenylphenyl)-N,N,5-triphenyl-14-(1,1,3,3-tetramethyl-2H-inden-5-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9,11,13(24),15,17(21),22-nonaen-11-amine is sourced from PubChem (CID 167395086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).