1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane

C34H28Si2 — CID 139686295

IUPAC1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane
SMILESc1ccc([Si]2(c3ccccc3)CC[Si]2(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H28Si2/c1-3-17-29(18-4-1)35(30-19-5-2-6-20-30)25-26-36(35,33-23-11-15-27-13-7-9-21-31(27)33)34-24-12-16-28-14-8-10-22-32(28)34/h1-24H,25-26H2
InChIKeyMDZLRHWFEYYQAX-UHFFFAOYSA-N
MW492.77 g/mol
LogP5.91
Rot. Bonds4

About 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane

1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane (PubChem CID 139686295) has the molecular formula C34H28Si2 and a molecular weight of 492.77 g/mol. Its IUPAC name is 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane.

Molecular Properties

Compound Name1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane
PubChem CID139686295
Molecular FormulaC34H28Si2
Molecular Weight492.77 g/mol
Exact Mass492.17
IUPAC Name1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane
SMILESc1ccc([Si]2(c3ccccc3)CC[Si]2(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C34H28Si2/c1-3-17-29(18-4-1)35(30-19-5-2-6-20-30)25-26-36(35,33-23-11-15-27-13-7-9-21-31(27)33)34-24-12-16-28-14-8-10-22-32(28)34/h1-24H,25-26H2
InChIKeyMDZLRHWFEYYQAX-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.77
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 155787068
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Frequently Asked Questions

What is the IUPAC name of 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane?
The IUPAC name of 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane (CID 139686295) is 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane.
What is the SMILES notation for 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane?
The canonical SMILES for 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane is c1ccc([Si]2(c3ccccc3)CC[Si]2(c2cccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane?
The InChIKey is MDZLRHWFEYYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Si2/c1-3-17-29(18-4-1)35(30-19-5-2-6-20-30)25-26-36(35,33-23-11-15-27-13-7-9-21-31(27)33)34-24-12-16-28-14-8-10-22-32(28)34/h1-24H,25-26H2.
What are the key properties of 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane?
1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane has a molecular weight of 492.77 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dinaphthalen-1-yl-2,2-diphenyldisiletane is sourced from PubChem (CID 139686295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).