4-deuterio-10-(4-methoxyphenyl)phenanthrene

C21H16O — CID 135034400

IUPAC4-deuterio-10-(4-methoxyphenyl)phenanthrene
SMILES[2H]c1cccc2c(-c3ccc(OC)cc3)cc3ccccc3c12
InChIInChI=1S/C21H16O/c1-22-17-12-10-15(11-13-17)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-14H,1H3/i8D
InChIKeyLVWDWZVRJAUBQL-BNEYPBHNSA-N
MW285.36 g/mol
LogP5.67
Rot. Bonds2

About 4-deuterio-10-(4-methoxyphenyl)phenanthrene

4-deuterio-10-(4-methoxyphenyl)phenanthrene (PubChem CID 135034400) has the molecular formula C21H16O and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-deuterio-10-(4-methoxyphenyl)phenanthrene.

Molecular Properties

Compound Name4-deuterio-10-(4-methoxyphenyl)phenanthrene
PubChem CID135034400
Molecular FormulaC21H16O
Molecular Weight285.36 g/mol
Exact Mass285.13
IUPAC Name4-deuterio-10-(4-methoxyphenyl)phenanthrene
SMILES[2H]c1cccc2c(-c3ccc(OC)cc3)cc3ccccc3c12
InChIInChI=1S/C21H16O/c1-22-17-12-10-15(11-13-17)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-14H,1H3/i8D
InChIKeyLVWDWZVRJAUBQL-BNEYPBHNSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.36
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene
CID 59391261
1-(4-methoxyphenyl)-3,6,8-tris(4-naphthalen-1-ylphenyl)pyrene
CID 59391072
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
2-methoxy-1-(2-methoxy-3-naphthalen-2-ylnaphthalen-1-yl)-3-naphthalen-2-ylnaphthalene
CID 10531028
CID 59629155
CID 59629155
1-methoxy-2-(4-methoxyphenyl)pyrene
CID 174574739
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
9-(4-methoxyphenyl)-3,5-dimethylphenanthrene
CID 132819280
3-methoxy-5-phenylbenzo[a]anthracene
CID 24786261
N-(4-methoxyphenyl)-N-(4-methylphenyl)-9-phenylphenanthren-2-amine
CID 20685687
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
9-(4-iodophenyl)phenanthrene
CID 89083753

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-10-(4-methoxyphenyl)phenanthrene?
The IUPAC name of 4-deuterio-10-(4-methoxyphenyl)phenanthrene (CID 135034400) is 4-deuterio-10-(4-methoxyphenyl)phenanthrene.
What is the SMILES notation for 4-deuterio-10-(4-methoxyphenyl)phenanthrene?
The canonical SMILES for 4-deuterio-10-(4-methoxyphenyl)phenanthrene is [2H]c1cccc2c(-c3ccc(OC)cc3)cc3ccccc3c12.
What is the InChIKey of 4-deuterio-10-(4-methoxyphenyl)phenanthrene?
The InChIKey is LVWDWZVRJAUBQL-BNEYPBHNSA-N. The full InChI is InChI=1S/C21H16O/c1-22-17-12-10-15(11-13-17)21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-14H,1H3/i8D.
What are the key properties of 4-deuterio-10-(4-methoxyphenyl)phenanthrene?
4-deuterio-10-(4-methoxyphenyl)phenanthrene has a molecular weight of 285.36 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-10-(4-methoxyphenyl)phenanthrene is sourced from PubChem (CID 135034400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).