[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate

C23H16O3 — CID 66629221

IUPAC[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
SMILESO=C(O)Oc1ccccc1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H16O3/c24-23(25)26-22-8-4-3-7-21(22)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20/h1-15H,(H,24,25)
InChIKeyUTPOJFPIBVPOGK-UHFFFAOYSA-N
MW340.38 g/mol
LogP6.23
Rot. Bonds3

About [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate

[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate (PubChem CID 66629221) has the molecular formula C23H16O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate.

Molecular Properties

Compound Name[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
PubChem CID66629221
Molecular FormulaC23H16O3
Molecular Weight340.38 g/mol
Exact Mass340.11
IUPAC Name[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate
SMILESO=C(O)Oc1ccccc1-c1ccc(-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H16O3/c24-23(25)26-22-8-4-3-7-21(22)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20/h1-15H,(H,24,25)
InChIKeyUTPOJFPIBVPOGK-UHFFFAOYSA-N
XLogP6.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate?
The IUPAC name of [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate (CID 66629221) is [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate.
What is the SMILES notation for [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate?
The canonical SMILES for [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate is O=C(O)Oc1ccccc1-c1ccc(-c2ccc3ccccc3c2)cc1.
What is the InChIKey of [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate?
The InChIKey is UTPOJFPIBVPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O3/c24-23(25)26-22-8-4-3-7-21(22)18-12-9-17(10-13-18)20-14-11-16-5-1-2-6-19(16)15-20/h1-15H,(H,24,25).
What are the key properties of [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate?
[2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate has a molecular weight of 340.38 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-naphthalen-2-ylphenyl)phenyl] hydrogen carbonate is sourced from PubChem (CID 66629221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).