1-(2-phenanthren-9-ylphenyl)propan-2-one

C23H18O — CID 125333514

IUPAC1-(2-phenanthren-9-ylphenyl)propan-2-one
SMILESCC(=O)Cc1ccccc1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C23H18O/c1-16(24)14-17-8-2-5-11-20(17)23-15-18-9-3-4-10-19(18)21-12-6-7-13-22(21)23/h2-13,15H,14H2,1H3
InChIKeyRPVQGHQWVSHLPY-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.79
Rot. Bonds3

About 1-(2-phenanthren-9-ylphenyl)propan-2-one

1-(2-phenanthren-9-ylphenyl)propan-2-one (PubChem CID 125333514) has the molecular formula C23H18O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-phenanthren-9-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-phenanthren-9-ylphenyl)propan-2-one
PubChem CID125333514
Molecular FormulaC23H18O
Molecular Weight310.40 g/mol
Exact Mass310.14
IUPAC Name1-(2-phenanthren-9-ylphenyl)propan-2-one
SMILESCC(=O)Cc1ccccc1-c1cc2ccccc2c2ccccc12
InChIInChI=1S/C23H18O/c1-16(24)14-17-8-2-5-11-20(17)23-15-18-9-3-4-10-19(18)21-12-6-7-13-22(21)23/h2-13,15H,14H2,1H3
InChIKeyRPVQGHQWVSHLPY-UHFFFAOYSA-N
XLogP5.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.79
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

9-naphthalen-1-ylphenanthrene
CID 20606742
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
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CID 134256975
acetic acid;chrysene
CID 175201446
4-[3-(3-oxobutyl)azulen-1-yl]butan-2-one
CID 23624505
1-(2,3-diaminonaphthalen-1-yl)propan-2-one
CID 68769782
1-[10-(2-oxopropyl)anthracen-9-yl]propan-2-one
CID 175507424
9-phenanthren-9-ylphenanthren-1-ol
CID 88608615
1-(1,10-phenanthrolin-5-yl)propan-2-one
CID 57096123
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805302

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenanthren-9-ylphenyl)propan-2-one?
The IUPAC name of 1-(2-phenanthren-9-ylphenyl)propan-2-one (CID 125333514) is 1-(2-phenanthren-9-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-phenanthren-9-ylphenyl)propan-2-one?
The canonical SMILES for 1-(2-phenanthren-9-ylphenyl)propan-2-one is CC(=O)Cc1ccccc1-c1cc2ccccc2c2ccccc12.
What is the InChIKey of 1-(2-phenanthren-9-ylphenyl)propan-2-one?
The InChIKey is RPVQGHQWVSHLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O/c1-16(24)14-17-8-2-5-11-20(17)23-15-18-9-3-4-10-19(18)21-12-6-7-13-22(21)23/h2-13,15H,14H2,1H3.
What are the key properties of 1-(2-phenanthren-9-ylphenyl)propan-2-one?
1-(2-phenanthren-9-ylphenyl)propan-2-one has a molecular weight of 310.40 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenanthren-9-ylphenyl)propan-2-one is sourced from PubChem (CID 125333514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).