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

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

15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 140785869) has the molecular formula C56H40N2Si and a molecular weight of 769.04 g/mol. Its IUPAC name is 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name	15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID	140785869
Molecular Formula	C56H40N2Si
Molecular Weight	769.04 g/mol
Exact Mass	768.30
IUPAC Name	15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-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-c2nc(-c3cccc4ccccc34)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c21
InChI	InChI=1S/C56H40N2Si/c1-59(2)52-36-44-22-10-9-21-43(44)35-51(52)54-55(59)53(57-56(58-54)50-29-15-23-39-20-11-12-28-49(39)50)45-27-14-25-41(31-45)40-24-13-26-42(30-40)48-33-46(37-16-5-3-6-17-37)32-47(34-48)38-18-7-4-8-19-38/h3-36H,1-2H3
InChIKey	QGFNNSBAWUKXPZ-UHFFFAOYSA-N
XLogP	13.59
TPSA	25.78 Å²
H-Bond Donors
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'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 140785869) is 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-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 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-diaza-17-silatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene?

The canonical SMILES for 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-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-c2nc(-c3cccc4ccccc34)nc(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4)c3)c21.

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

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

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

15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-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 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 15-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-17,17-dimethyl-13-naphthalen-1-yl-12,14-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 140785869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).