24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene

C45H28N4Si — CID 164836900

About 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene

24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene (PubChem CID 164836900) has the molecular formula C45H28N4Si and a molecular weight of 652.83 g/mol. Its IUPAC name is 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene.

Molecular Properties

• Compound Name: 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
• PubChem CID: 164836900
• Molecular Formula: C45H28N4Si
• Molecular Weight: 652.83 g/mol
• Exact Mass: 652.21
• IUPAC Name: 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
• SMILES: c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2c2ccccc2c2c4ncccc4n(-c4ncc5ccc6ccccc6c5n4)c32)cc1
• InChI: InChI=1S/C45H28N4Si/c1-3-15-31(16-4-1)50(32-17-5-2-6-18-32)38-24-12-11-22-36(38)40-43-39(34-20-9-10-21-35(34)44(40)50)42-37(23-13-27-46-42)49(43)45-47-28-30-26-25-29-14-7-8-19-33(29)41(30)48-45/h1-28H
• InChIKey: BSJABRLKBZWZKZ-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.83
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene?

The IUPAC name of 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene (CID 164836900) is 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene.

What is the SMILES notation for 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene?

The canonical SMILES for 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene is c1ccc([Si]2(c3ccccc3)c3ccccc3-c3c2c2ccccc2c2c4ncccc4n(-c4ncc5ccc6ccccc6c5n4)c32)cc1.

What is the InChIKey of 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene?

The InChIKey is BSJABRLKBZWZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4Si/c1-3-15-31(16-4-1)50(32-17-5-2-6-18-32)38-24-12-11-22-36(38)40-43-39(34-20-9-10-21-35(34)44(40)50)42-37(23-13-27-46-42)49(43)45-47-28-30-26-25-29-14-7-8-19-33(29)41(30)48-45/h1-28H.

What are the key properties of 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene?

24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene has a molecular weight of 652.83 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24-benzo[h]quinazolin-2-yl-9,9-diphenyl-19,24-diaza-9-silahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 164836900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).