N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine

C55H54BN3Si — CID 167419272

About N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine

N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine (PubChem CID 167419272) has the molecular formula C55H54BN3Si and a molecular weight of 795.96 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine.

Molecular Properties

• Compound Name: N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine
• PubChem CID: 167419272
• Molecular Formula: C55H54BN3Si
• Molecular Weight: 795.96 g/mol
• Exact Mass: 795.42
• IUPAC Name: N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)N2c5ccccc5[Si](C)(C)c5cccc(c52)B4c2cccc4c2N3c2ccccc2C4(C)C)cc1
• InChI: InChI=1S/C55H54BN3Si/c1-53(2,3)35-25-29-37(30-26-35)57(38-31-27-36(28-32-38)54(4,5)6)39-33-46-50-47(34-39)59-45-22-13-14-23-48(45)60(9,10)49-24-16-20-43(52(49)59)56(50)42-19-15-18-41-51(42)58(46)44-21-12-11-17-40(44)55(41,7)8/h11-34H,1-10H3
• InChIKey: CPMMBPNIYDYMJM-UHFFFAOYSA-N
• XLogP: 11.61
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.96
LogP ≤ 5	11.61
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,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine?

The IUPAC name of N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine (CID 167419272) is N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine.

What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine?

The canonical SMILES for N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c4c(c2)N2c5ccccc5[Si](C)(C)c5cccc(c52)B4c2cccc4c2N3c2ccccc2C4(C)C)cc1.

What is the InChIKey of N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine?

The InChIKey is CPMMBPNIYDYMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54BN3Si/c1-53(2,3)35-25-29-37(30-26-35)57(38-31-27-36(28-32-38)54(4,5)6)39-33-46-50-47(34-39)59-45-22-13-14-23-48(45)60(9,10)49-24-16-20-43(52(49)59)56(50)42-19-15-18-41-51(42)58(46)44-21-12-11-17-40(44)55(41,7)8/h11-34H,1-10H3.

What are the key properties of N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine?

N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine has a molecular weight of 795.96 g/mol, XLogP of 11.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-tert-butylphenyl)-7,7,27,27-tetramethyl-14,20-diaza-7-sila-1-boranonacyclo[17.13.1.12,6.120,28.08,13.015,33.021,26.014,35.032,34]pentatriaconta-2(35),3,5,8,10,12,15,17,19(33),21,23,25,28,30,32(34)-pentadecaen-17-amine is sourced from PubChem (CID 167419272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).