13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

C56H40N2Si — CID 140785886

About 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene

13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (PubChem CID 140785886) has the molecular formula C56H40N2Si and a molecular weight of 769.04 g/mol. Its IUPAC name is 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

Molecular Properties

• Compound Name: 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
• PubChem CID: 140785886
• Molecular Formula: C56H40N2Si
• Molecular Weight: 769.04 g/mol
• Exact Mass: 768.30
• IUPAC Name: 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene
• SMILES: C[Si]1(C)c2c(nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)nc2-c2cccc3ccccc23)-c2ccc3ccccc3c21
• InChI: InChI=1S/C56H40N2Si/c1-59(2)54-49-28-12-10-21-40(49)30-31-51(54)53-55(59)52(50-29-15-22-39-20-9-11-27-48(39)50)57-56(58-53)44-26-14-24-42(33-44)41-23-13-25-43(32-41)47-35-45(37-16-5-3-6-17-37)34-46(36-47)38-18-7-4-8-19-38/h3-36H,1-2H3
• InChIKey: KCJBNMSGICAPLU-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.04
LogP ≤ 5	13.59
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 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The IUPAC name of 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene (CID 140785886) is 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene.

What is the SMILES notation for 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The canonical SMILES for 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is C[Si]1(C)c2c(nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)nc2-c2cccc3ccccc23)-c2ccc3ccccc3c21.

What is the InChIKey of 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

The InChIKey is KCJBNMSGICAPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2Si/c1-59(2)54-49-28-12-10-21-40(49)30-31-51(54)53-55(59)52(50-29-15-22-39-20-9-11-27-48(39)50)57-56(58-53)44-26-14-24-42(33-44)41-23-13-25-43(32-41)47-35-45(37-16-5-3-6-17-37)34-46(36-47)38-18-7-4-8-19-38/h3-36H,1-2H3.

What are the key properties of 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene?

13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene has a molecular weight of 769.04 g/mol, XLogP of 13.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 13-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-15-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene is sourced from PubChem (CID 140785886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).