N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine

C68H47BN4OSi — CID 155625392

About N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine

N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine (PubChem CID 155625392) has the molecular formula C68H47BN4OSi and a molecular weight of 975.05 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine
• PubChem CID: 155625392
• Molecular Formula: C68H47BN4OSi
• Molecular Weight: 975.05 g/mol
• Exact Mass: 974.36
• IUPAC Name: N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine
• SMILES: C[Si]1(C)c2ccccc2-c2c1ccc1c2N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)cc3c2B1c1ccc2c(c1N3c1ccccc1)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C68H47BN4OSi/c1-75(2)61-37-20-17-32-51(61)65-62(75)41-39-53-68(65)73(47-28-13-6-14-29-47)58-43-48(70(44-22-7-3-8-23-44)55-34-21-36-60-63(55)50-31-16-19-35-59(50)74-60)42-57-66(58)69(53)52-38-40-56-64(67(52)72(57)46-26-11-5-12-27-46)49-30-15-18-33-54(49)71(56)45-24-9-4-10-25-45/h3-43H,1-2H3
• InChIKey: ZDCZUSGGUAGSAK-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 27.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.05
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine?

The IUPAC name of N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine (CID 155625392) is N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine.

What is the SMILES notation for N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine?

The canonical SMILES for N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine is C[Si]1(C)c2ccccc2-c2c1ccc1c2N(c2ccccc2)c2cc(N(c3ccccc3)c3cccc4oc5ccccc5c34)cc3c2B1c1ccc2c(c1N3c1ccccc1)c1ccccc1n2-c1ccccc1.

What is the InChIKey of N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine?

The InChIKey is ZDCZUSGGUAGSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47BN4OSi/c1-75(2)61-37-20-17-32-51(61)65-62(75)41-39-53-68(65)73(47-28-13-6-14-29-47)58-43-48(70(44-22-7-3-8-23-44)55-34-21-36-60-63(55)50-31-16-19-35-59(50)74-60)42-57-66(58)69(53)52-38-40-56-64(67(52)72(57)46-26-11-5-12-27-46)49-30-15-18-33-54(49)71(56)45-24-9-4-10-25-45/h3-43H,1-2H3.

What are the key properties of N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine?

N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine has a molecular weight of 975.05 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-1-yl-30,30-dimethyl-N,6,15,21-tetraphenyl-6,15,21-triaza-30-sila-1-boranonacyclo[18.14.1.02,14.05,13.07,12.016,35.022,34.023,31.024,29]pentatriaconta-2(14),3,5(13),7,9,11,16(35),17,19,22(34),23(31),24,26,28,32-pentadecaen-18-amine is sourced from PubChem (CID 155625392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).