17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

C38H28N2Si — CID 140785734

About 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene

17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 140785734) has the molecular formula C38H28N2Si and a molecular weight of 540.74 g/mol. Its IUPAC name is 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

• Compound Name: 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
• PubChem CID: 140785734
• Molecular Formula: C38H28N2Si
• Molecular Weight: 540.74 g/mol
• Exact Mass: 540.20
• IUPAC Name: 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
• SMILES: C[Si]1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4ccccc34)nc21
• InChI: InChI=1S/C38H28N2Si/c1-41(2)34-24-29-16-7-6-15-28(29)23-33(34)35-36(30-19-10-18-27(22-30)25-12-4-3-5-13-25)39-37(40-38(35)41)32-21-11-17-26-14-8-9-20-31(26)32/h3-24H,1-2H3
• InChIKey: WRAMZNWNSSSNOU-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.74
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The IUPAC name of 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 140785734) is 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

What is the SMILES notation for 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The canonical SMILES for 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is C[Si]1(C)c2cc3ccccc3cc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4ccccc34)nc21.

What is the InChIKey of 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The InChIKey is WRAMZNWNSSSNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2Si/c1-41(2)34-24-29-16-7-6-15-28(29)23-33(34)35-36(30-19-10-18-27(22-30)25-12-4-3-5-13-25)39-37(40-38(35)41)32-21-11-17-26-14-8-9-20-31(26)32/h3-24H,1-2H3.

What are the key properties of 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 540.74 g/mol, XLogP of 8.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17,17-dimethyl-14-naphthalen-1-yl-12-(3-phenylphenyl)-13,15-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 140785734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).