diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane

C44H30N6Si — CID 67988486

About diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane

diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane (PubChem CID 67988486) has the molecular formula C44H30N6Si and a molecular weight of 670.85 g/mol. Its IUPAC name is diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane.

Molecular Properties

• Compound Name: diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane
• PubChem CID: 67988486
• Molecular Formula: C44H30N6Si
• Molecular Weight: 670.85 g/mol
• Exact Mass: 670.23
• IUPAC Name: diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane
• SMILES: c1ccc(-n2c3cnccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cc5c6ccncc6n(-c6ccccc6)c5cn4)ncc32)cc1
• InChI: InChI=1S/C44H30N6Si/c1-5-13-31(14-6-1)49-39-27-45-23-21-35(39)37-25-43(47-29-41(37)49)51(33-17-9-3-10-18-33,34-19-11-4-12-20-34)44-26-38-36-22-24-46-28-40(36)50(42(38)30-48-44)32-15-7-2-8-16-32/h1-30H
• InChIKey: GAGBJOKVQZSRFA-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.85
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane?

The IUPAC name of diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane (CID 67988486) is diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane.

What is the SMILES notation for diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane?

The canonical SMILES for diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane is c1ccc(-n2c3cnccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4cc5c6ccncc6n(-c6ccccc6)c5cn4)ncc32)cc1.

What is the InChIKey of diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane?

The InChIKey is GAGBJOKVQZSRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6Si/c1-5-13-31(14-6-1)49-39-27-45-23-21-35(39)37-25-43(47-29-41(37)49)51(33-17-9-3-10-18-33,34-19-11-4-12-20-34)44-26-38-36-22-24-46-28-40(36)50(42(38)30-48-44)32-15-7-2-8-16-32/h1-30H.

What are the key properties of diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane?

diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane has a molecular weight of 670.85 g/mol, XLogP of 6.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-bis(8-phenyl-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl)silane is sourced from PubChem (CID 67988486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).