4-methoxy-10-phenylselanylphenanthrene

C21H16OSe — CID 71605623

IUPAC4-methoxy-10-phenylselanylphenanthrene
SMILESCOc1cccc2c([Se]c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C21H16OSe/c1-22-19-13-7-12-18-20(23-16-9-3-2-4-10-16)14-15-8-5-6-11-17(15)21(18)19/h2-14H,1H3
InChIKeyYDAMCFPRZBBAKW-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.66
Rot. Bonds3

About 4-methoxy-10-phenylselanylphenanthrene

4-methoxy-10-phenylselanylphenanthrene (PubChem CID 71605623) has the molecular formula C21H16OSe and a molecular weight of 363.32 g/mol. Its IUPAC name is 4-methoxy-10-phenylselanylphenanthrene.

Molecular Properties

Compound Name4-methoxy-10-phenylselanylphenanthrene
PubChem CID71605623
Molecular FormulaC21H16OSe
Molecular Weight363.32 g/mol
Exact Mass364.04
IUPAC Name4-methoxy-10-phenylselanylphenanthrene
SMILESCOc1cccc2c([Se]c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C21H16OSe/c1-22-19-13-7-12-18-20(23-16-9-3-2-4-10-16)14-15-8-5-6-11-17(15)21(18)19/h2-14H,1H3
InChIKeyYDAMCFPRZBBAKW-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethoxy-4,5-bis(phenylselanyl)benzene
CID 15257774
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
1-methoxyanthracen-9-amine
CID 23131408
1-phenylselanylnaphthalene
CID 11196823
1,11-dimethoxychrysene
CID 175599943
5-phenylselanyl-1,10-phenanthroline
CID 138964900
8-methoxy-7,12-diphenylbenzo[k]fluoranthene
CID 151612057
1,2,3,8-tetramethoxynaphthalene
CID 91328449
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
1,2-dimethoxy-5,11-diphenylchrysene
CID 87132539
methanol;1-methoxynaphthalene;neptunium
CID 157299455
5-methoxybenzo[c]phenanthrene
CID 621003

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-10-phenylselanylphenanthrene?
The IUPAC name of 4-methoxy-10-phenylselanylphenanthrene (CID 71605623) is 4-methoxy-10-phenylselanylphenanthrene.
What is the SMILES notation for 4-methoxy-10-phenylselanylphenanthrene?
The canonical SMILES for 4-methoxy-10-phenylselanylphenanthrene is COc1cccc2c([Se]c3ccccc3)cc3ccccc3c12.
What is the InChIKey of 4-methoxy-10-phenylselanylphenanthrene?
The InChIKey is YDAMCFPRZBBAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16OSe/c1-22-19-13-7-12-18-20(23-16-9-3-2-4-10-16)14-15-8-5-6-11-17(15)21(18)19/h2-14H,1H3.
What are the key properties of 4-methoxy-10-phenylselanylphenanthrene?
4-methoxy-10-phenylselanylphenanthrene has a molecular weight of 363.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-10-phenylselanylphenanthrene is sourced from PubChem (CID 71605623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).