CID 101404869

C20H17Se2 — CID 101404869

IUPAC—
SMILES[c]1c(C[Se]c2ccccc2)cccc1C[Se]c1ccccc1
InChIInChI=1S/C20H17Se2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-13H,15-16H2
InChIKeyLUUUBNQVTGKDLG-UHFFFAOYSA-N
MW415.28 g/mol
LogP2.55
Rot. Bonds6

About CID 101404869

CID 101404869 (PubChem CID 101404869) has the molecular formula C20H17Se2 and a molecular weight of 415.28 g/mol.

Molecular Properties

Compound NameCID 101404869
PubChem CID101404869
Molecular FormulaC20H17Se2
Molecular Weight415.28 g/mol
Exact Mass416.97
IUPAC Name—
SMILES[c]1c(C[Se]c2ccccc2)cccc1C[Se]c1ccccc1
InChIInChI=1S/C20H17Se2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-13H,15-16H2
InChIKeyLUUUBNQVTGKDLG-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 52.55
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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1-ethenyl-4-(phenylselanylmethyl)benzene
CID 100961449
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1-methyl-2-(phenylselanylmethyl)pyridin-1-ium
CID 51358024
1-nitro-3-(phenylselanylmethyl)benzene
CID 71443025
2-methylpropylselanylbenzene
CID 12544088
(5R)-5-phenyl-3-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
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(2-bromo-2,2-difluoroethyl)selanylbenzene
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Frequently Asked Questions

What is the IUPAC name of CID 101404869?
The IUPAC name of CID 101404869 (CID 101404869) is not available.
What is the SMILES notation for CID 101404869?
The canonical SMILES for CID 101404869 is [c]1c(C[Se]c2ccccc2)cccc1C[Se]c1ccccc1.
What is the InChIKey of CID 101404869?
The InChIKey is LUUUBNQVTGKDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Se2/c1-3-10-19(11-4-1)21-15-17-8-7-9-18(14-17)16-22-20-12-5-2-6-13-20/h1-13H,15-16H2.
What are the key properties of CID 101404869?
CID 101404869 has a molecular weight of 415.28 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101404869 is sourced from PubChem (CID 101404869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).