anthracen-1-yl naphthalene-2-carboxylate

C25H16O2 — CID 151830595

IUPACanthracen-1-yl naphthalene-2-carboxylate
SMILESO=C(Oc1cccc2cc3ccccc3cc12)c1ccc2ccccc2c1
InChIInChI=1S/C25H16O2/c26-25(22-13-12-17-6-1-2-7-18(17)15-22)27-24-11-5-10-21-14-19-8-3-4-9-20(19)16-23(21)24/h1-16H
InChIKeySEOKXPUBPCNOTI-UHFFFAOYSA-N
MW348.40 g/mol
LogP6.37
Rot. Bonds2

About anthracen-1-yl naphthalene-2-carboxylate

anthracen-1-yl naphthalene-2-carboxylate (PubChem CID 151830595) has the molecular formula C25H16O2 and a molecular weight of 348.40 g/mol. Its IUPAC name is anthracen-1-yl naphthalene-2-carboxylate.

Molecular Properties

Compound Nameanthracen-1-yl naphthalene-2-carboxylate
PubChem CID151830595
Molecular FormulaC25H16O2
Molecular Weight348.40 g/mol
Exact Mass348.12
IUPAC Nameanthracen-1-yl naphthalene-2-carboxylate
SMILESO=C(Oc1cccc2cc3ccccc3cc12)c1ccc2ccccc2c1
InChIInChI=1S/C25H16O2/c26-25(22-13-12-17-6-1-2-7-18(17)15-22)27-24-11-5-10-21-14-19-8-3-4-9-20(19)16-23(21)24/h1-16H
InChIKeySEOKXPUBPCNOTI-UHFFFAOYSA-N
XLogP6.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.40
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze anthracen-1-yl naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

anthracen-1-yl 4-hydroxybenzoate
CID 159973907
(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate
CID 21292340
(2-acetylphenyl) naphthalene-2-carboxylate
CID 67194718
anthracen-1-yl 2-formylbenzoate
CID 141425213
3-O-naphthalen-1-yl 1-O-[7-[7-(3-naphthalen-1-yloxycarbonylbenzoyl)oxynaphthalen-2-yl]oxynaphthalen-2-yl] benzene-1,3-dicarboxylate
CID 176610546
(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
dinaphthalen-1-yl 2-methylbenzene-1,4-dicarboxylate
CID 139985706
1-anthracen-1-ylperoxyanthracene
CID 87977353
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245
diphenyl naphthalene-1,6-dicarboxylate
CID 66591582

Frequently Asked Questions

What is the IUPAC name of anthracen-1-yl naphthalene-2-carboxylate?
The IUPAC name of anthracen-1-yl naphthalene-2-carboxylate (CID 151830595) is anthracen-1-yl naphthalene-2-carboxylate.
What is the SMILES notation for anthracen-1-yl naphthalene-2-carboxylate?
The canonical SMILES for anthracen-1-yl naphthalene-2-carboxylate is O=C(Oc1cccc2cc3ccccc3cc12)c1ccc2ccccc2c1.
What is the InChIKey of anthracen-1-yl naphthalene-2-carboxylate?
The InChIKey is SEOKXPUBPCNOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O2/c26-25(22-13-12-17-6-1-2-7-18(17)15-22)27-24-11-5-10-21-14-19-8-3-4-9-20(19)16-23(21)24/h1-16H.
What are the key properties of anthracen-1-yl naphthalene-2-carboxylate?
anthracen-1-yl naphthalene-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-1-yl naphthalene-2-carboxylate is sourced from PubChem (CID 151830595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).