(4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine

C36H28O2Si — CID 10506170

IUPAC(4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
SMILESC1=C[C@H](c2cccc3ccccc23)O[Si](c2ccccc2)(c2ccccc2)O[C@H]1c1cccc2ccccc12
InChIInChI=1S/C36H28O2Si/c1-3-17-29(18-4-1)39(30-19-5-2-6-20-30)37-35(33-23-11-15-27-13-7-9-21-31(27)33)25-26-36(38-39)34-24-12-16-28-14-8-10-22-32(28)34/h1-26,35-36H/t35-,36-/m1/s1
InChIKeyHTWMFHZKPFVAKX-LQFQNGICSA-N
MW520.70 g/mol
LogP7.64
Rot. Bonds4

About (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine

(4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine (PubChem CID 10506170) has the molecular formula C36H28O2Si and a molecular weight of 520.70 g/mol. Its IUPAC name is (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine.

Molecular Properties

Compound Name(4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
PubChem CID10506170
Molecular FormulaC36H28O2Si
Molecular Weight520.70 g/mol
Exact Mass520.19
IUPAC Name(4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
SMILESC1=C[C@H](c2cccc3ccccc23)O[Si](c2ccccc2)(c2ccccc2)O[C@H]1c1cccc2ccccc12
InChIInChI=1S/C36H28O2Si/c1-3-17-29(18-4-1)39(30-19-5-2-6-20-30)37-35(33-23-11-15-27-13-7-9-21-31(27)33)25-26-36(38-39)34-24-12-16-28-14-8-10-22-32(28)34/h1-26,35-36H/t35-,36-/m1/s1
InChIKeyHTWMFHZKPFVAKX-LQFQNGICSA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.70
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine?
The IUPAC name of (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine (CID 10506170) is (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine.
What is the SMILES notation for (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine?
The canonical SMILES for (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine is C1=C[C@H](c2cccc3ccccc23)O[Si](c2ccccc2)(c2ccccc2)O[C@H]1c1cccc2ccccc12.
What is the InChIKey of (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine?
The InChIKey is HTWMFHZKPFVAKX-LQFQNGICSA-N. The full InChI is InChI=1S/C36H28O2Si/c1-3-17-29(18-4-1)39(30-19-5-2-6-20-30)37-35(33-23-11-15-27-13-7-9-21-31(27)33)25-26-36(38-39)34-24-12-16-28-14-8-10-22-32(28)34/h1-26,35-36H/t35-,36-/m1/s1.
What are the key properties of (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine?
(4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine has a molecular weight of 520.70 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-4,7-dinaphthalen-1-yl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine is sourced from PubChem (CID 10506170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).