bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane

C60H38B2N2O2P2Si — CID 140821567

About bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane

bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane (PubChem CID 140821567) has the molecular formula C60H38B2N2O2P2Si and a molecular weight of 930.63 g/mol. Its IUPAC name is bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane.

Molecular Properties

• Compound Name: bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane
• PubChem CID: 140821567
• Molecular Formula: C60H38B2N2O2P2Si
• Molecular Weight: 930.63 g/mol
• Exact Mass: 930.24
• IUPAC Name: bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane
• SMILES: O=P12B3c4ccccc4-c4cc([Si](c5ccccc5)(c5ccccc5)c5ccc6c(c5)-c5ccccc5B5N6c6cccc7c6P5(=O)c5ccccc5-7)ccc4N3c3cccc(c31)-c1ccccc12
• InChI: InChI=1S/C60H38B2N2O2P2Si/c65-67-57-31-13-9-23-45(57)47-25-15-29-55(59(47)67)63-53-35-33-41(37-49(53)43-21-7-11-27-51(43)61(63)67)69(39-17-3-1-4-18-39,40-19-5-2-6-20-40)42-34-36-54-50(38-42)44-22-8-12-28-52(44)62-64(54)56-30-16-26-48-46-24-10-14-32-58(46)68(62,66)60(48)56/h1-38H
• InChIKey: HDFAOEDPOYKRNG-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 40.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.63
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane?

The IUPAC name of bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane (CID 140821567) is bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane.

What is the SMILES notation for bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane?

The canonical SMILES for bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane is O=P12B3c4ccccc4-c4cc([Si](c5ccccc5)(c5ccccc5)c5ccc6c(c5)-c5ccccc5B5N6c6cccc7c6P5(=O)c5ccccc5-7)ccc4N3c3cccc(c31)-c1ccccc12.

What is the InChIKey of bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane?

The InChIKey is HDFAOEDPOYKRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38B2N2O2P2Si/c65-67-57-31-13-9-23-45(57)47-25-15-29-55(59(47)67)63-53-35-33-41(37-49(53)43-21-7-11-27-51(43)61(63)67)69(39-17-3-1-4-18-39,40-19-5-2-6-20-40)42-34-36-54-50(38-42)44-22-8-12-28-52(44)62-64(54)56-30-16-26-48-46-24-10-14-32-58(46)68(62,66)60(48)56/h1-38H.

What are the key properties of bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane?

bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane has a molecular weight of 930.63 g/mol, XLogP of 8.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(16-oxo-2-aza-16λ5-phospha-15-boraheptacyclo[14.10.1.02,15.03,8.09,14.017,22.023,27]heptacosa-1(26),3(8),4,6,9,11,13,17,19,21,23(27),24-dodecaen-6-yl)-diphenylsilane is sourced from PubChem (CID 140821567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).