bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane

C56H36N2Si — CID 123447866

About bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane

bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane (PubChem CID 123447866) has the molecular formula C56H36N2Si and a molecular weight of 765.00 g/mol. Its IUPAC name is bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane.

Molecular Properties

• Compound Name: bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane
• PubChem CID: 123447866
• Molecular Formula: C56H36N2Si
• Molecular Weight: 765.00 g/mol
• Exact Mass: 764.26
• IUPAC Name: bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane
• SMILES: c1ccc([Si](c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)(c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C56H36N2Si/c1-2-16-45(17-3-1)59(48-31-26-37-10-4-5-11-42(37)36-48,46-32-27-43(28-33-46)57-49-18-6-12-38-22-23-39-13-7-19-50(57)54(39)53(38)49)47-34-29-44(30-35-47)58-51-20-8-14-40-24-25-41-15-9-21-52(58)56(41)55(40)51/h1-36H
• InChIKey: RWPMWZOUJGMYAW-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.00
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane?

The IUPAC name of bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane (CID 123447866) is bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane.

What is the SMILES notation for bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane?

The canonical SMILES for bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane is c1ccc([Si](c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)(c2ccc(-n3c4cccc5ccc6cccc3c6c54)cc2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane?

The InChIKey is RWPMWZOUJGMYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2Si/c1-2-16-45(17-3-1)59(48-31-26-37-10-4-5-11-42(37)36-48,46-32-27-43(28-33-46)57-49-18-6-12-38-22-23-39-13-7-19-50(57)54(39)53(38)49)47-34-29-44(30-35-47)58-51-20-8-14-40-24-25-41-15-9-21-52(58)56(41)55(40)51/h1-36H.

What are the key properties of bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane?

bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane has a molecular weight of 765.00 g/mol, XLogP of 11.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-naphthalen-2-yl-phenylsilane is sourced from PubChem (CID 123447866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).