(2-phenylphenyl) naphthalene-1-carboxylate

C23H16O2 — CID 91722072

IUPAC(2-phenylphenyl) naphthalene-1-carboxylate
SMILESO=C(Oc1ccccc1-c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H16O2/c24-23(21-15-8-12-17-11-4-5-13-19(17)21)25-22-16-7-6-14-20(22)18-9-2-1-3-10-18/h1-16H
InChIKeyCCABXRZFFMNMTG-UHFFFAOYSA-N
MW324.38 g/mol
LogP5.73
Rot. Bonds3

About (2-phenylphenyl) naphthalene-1-carboxylate

(2-phenylphenyl) naphthalene-1-carboxylate (PubChem CID 91722072) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2-phenylphenyl) naphthalene-1-carboxylate.

Molecular Properties

Compound Name(2-phenylphenyl) naphthalene-1-carboxylate
PubChem CID91722072
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name(2-phenylphenyl) naphthalene-1-carboxylate
SMILESO=C(Oc1ccccc1-c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H16O2/c24-23(21-15-8-12-17-11-4-5-13-19(17)21)25-22-16-7-6-14-20(22)18-9-2-1-3-10-18/h1-16H
InChIKeyCCABXRZFFMNMTG-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalene-1-carbonyloxy)benzoic acid
CID 54147008
[3-[9-[3-(naphthalene-1-carbonyloxy)-2-phenylphenyl]fluoren-9-yl]-2-phenylphenyl] naphthalene-1-carboxylate
CID 177344454
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
(8-benzoyloxynaphthalen-1-yl) naphthalene-1-carboxylate
CID 175286070
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
magnesium;hydride;naphthalene-1-carboperoxoic acid
CID 175368397
naphthalen-1-yl 2-propan-2-yloxybenzoate
CID 23013102
bromo naphthalene-1-carboxylate
CID 68796403
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
(1,3-dioxoisoindol-2-yl)methyl naphthalene-1-carboxylate
CID 3380450
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) naphthalene-1-carboxylate?
The IUPAC name of (2-phenylphenyl) naphthalene-1-carboxylate (CID 91722072) is (2-phenylphenyl) naphthalene-1-carboxylate.
What is the SMILES notation for (2-phenylphenyl) naphthalene-1-carboxylate?
The canonical SMILES for (2-phenylphenyl) naphthalene-1-carboxylate is O=C(Oc1ccccc1-c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of (2-phenylphenyl) naphthalene-1-carboxylate?
The InChIKey is CCABXRZFFMNMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O2/c24-23(21-15-8-12-17-11-4-5-13-19(17)21)25-22-16-7-6-14-20(22)18-9-2-1-3-10-18/h1-16H.
What are the key properties of (2-phenylphenyl) naphthalene-1-carboxylate?
(2-phenylphenyl) naphthalene-1-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) naphthalene-1-carboxylate is sourced from PubChem (CID 91722072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).