phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone

C26H20O — CID 162401088

IUPACphenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone
SMILESO=C(c1ccccc1)C1CCc2c1cc1ccccc1c2-c1ccccc1
InChIInChI=1S/C26H20O/c27-26(19-11-5-2-6-12-19)23-16-15-22-24(23)17-20-13-7-8-14-21(20)25(22)18-9-3-1-4-10-18/h1-14,17,23H,15-16H2
InChIKeyIQTTTWAOBQUSQN-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.42
Rot. Bonds3

About phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone

phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone (PubChem CID 162401088) has the molecular formula C26H20O and a molecular weight of 348.45 g/mol. Its IUPAC name is phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone
PubChem CID162401088
Molecular FormulaC26H20O
Molecular Weight348.45 g/mol
Exact Mass348.15
IUPAC Namephenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone
SMILESO=C(c1ccccc1)C1CCc2c1cc1ccccc1c2-c1ccccc1
InChIInChI=1S/C26H20O/c27-26(19-11-5-2-6-12-19)23-16-15-22-24(23)17-20-13-7-8-14-21(20)25(22)18-9-3-1-4-10-18/h1-14,17,23H,15-16H2
InChIKeyIQTTTWAOBQUSQN-UHFFFAOYSA-N
XLogP6.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone?
The IUPAC name of phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone (CID 162401088) is phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone.
What is the SMILES notation for phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone?
The canonical SMILES for phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone is O=C(c1ccccc1)C1CCc2c1cc1ccccc1c2-c1ccccc1.
What is the InChIKey of phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone?
The InChIKey is IQTTTWAOBQUSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O/c27-26(19-11-5-2-6-12-19)23-16-15-22-24(23)17-20-13-7-8-14-21(20)25(22)18-9-3-1-4-10-18/h1-14,17,23H,15-16H2.
What are the key properties of phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone?
phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone is sourced from PubChem (CID 162401088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).