trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane

C49H39BN4Si — CID 159139683

About trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane

trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane (PubChem CID 159139683) has the molecular formula C49H39BN4Si and a molecular weight of 722.78 g/mol. Its IUPAC name is trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane
• PubChem CID: 159139683
• Molecular Formula: C49H39BN4Si
• Molecular Weight: 722.78 g/mol
• Exact Mass: 722.30
• IUPAC Name: trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane
• SMILES: C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1-c1cc(-c4ccccc4)ccn1)c1ccccc1B3c1ccccc1N2c1ccccc1-c1ccccn1
• InChI: InChI=1S/C49H39BN4Si/c1-55(2,3)36-32-47-49-48(33-36)54(44-25-12-8-20-38(44)42-31-35(28-30-52-42)34-17-5-4-6-18-34)46-27-14-10-22-40(46)50(49)39-21-9-13-26-45(39)53(47)43-24-11-7-19-37(43)41-23-15-16-29-51-41/h4-33H,1-3H3
• InChIKey: QWFAMRHXAUVHKA-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 32.26 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.78
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane?

The IUPAC name of trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane (CID 159139683) is trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane.

What is the SMILES notation for trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane?

The canonical SMILES for trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane is C[Si](C)(C)c1cc2c3c(c1)N(c1ccccc1-c1cc(-c4ccccc4)ccn1)c1ccccc1B3c1ccccc1N2c1ccccc1-c1ccccn1.

What is the InChIKey of trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane?

The InChIKey is QWFAMRHXAUVHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39BN4Si/c1-55(2,3)36-32-47-49-48(33-36)54(44-25-12-8-20-38(44)42-31-35(28-30-52-42)34-17-5-4-6-18-34)46-27-14-10-22-40(46)50(49)39-21-9-13-26-45(39)53(47)43-24-11-7-19-37(43)41-23-15-16-29-51-41/h4-33H,1-3H3.

What are the key properties of trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane?

trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane has a molecular weight of 722.78 g/mol, XLogP of 10.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[8-[2-(4-phenyl-2-pyridinyl)phenyl]-14-(2-pyridin-2-ylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]silane is sourced from PubChem (CID 159139683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).