[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate

C56H34O10 — CID 118029962

IUPAC[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate
SMILESO=C(Oc1ccc(C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)c3ccc(OC(=O)c4ccc5cc(O)ccc5c4)cc3)ccc3ccccc23)cc1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C56H34O10/c57-43-21-13-37-29-41(11-9-39(37)31-43)55(61)63-45-23-15-35(16-24-45)53(59)65-49-27-19-33-5-1-3-7-47(33)51(49)52-48-8-4-2-6-34(48)20-28-50(52)66-54(60)36-17-25-46(26-18-36)64-56(62)42-12-10-40-32-44(58)22-14-38(40)30-42/h1-32,57-58H
InChIKeyQAUOGMRCSJDDKK-UHFFFAOYSA-N
MW866.88 g/mol
LogP12.25
Rot. Bonds9

About [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate

[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate (PubChem CID 118029962) has the molecular formula C56H34O10 and a molecular weight of 866.88 g/mol. Its IUPAC name is [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate
PubChem CID118029962
Molecular FormulaC56H34O10
Molecular Weight866.88 g/mol
Exact Mass866.22
IUPAC Name[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate
SMILESO=C(Oc1ccc(C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)c3ccc(OC(=O)c4ccc5cc(O)ccc5c4)cc3)ccc3ccccc23)cc1)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C56H34O10/c57-43-21-13-37-29-41(11-9-39(37)31-43)55(61)63-45-23-15-35(16-24-45)53(59)65-49-27-19-33-5-1-3-7-47(33)51(49)52-48-8-4-2-6-34(48)20-28-50(52)66-54(60)36-17-25-46(26-18-36)64-56(62)42-12-10-40-32-44(58)22-14-38(40)30-42/h1-32,57-58H
InChIKeyQAUOGMRCSJDDKK-UHFFFAOYSA-N
XLogP12.25
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.88
LogP ≤ 512.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[1-[2-[4-[4-(4-ethylbenzoyl)oxybenzoyl]oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenoxy]carbonylphenyl] 4-ethylbenzoate;[1-[2-[6-(4-ethylbenzoyl)oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-(4-ethylbenzoyl)oxynaphthalene-2-carboxylate
CID 157381645
phenyl 6-hydroxynaphthalene-2-carboxylate
CID 18762076
[1-[2-(4-hydroxybenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 4-cyanobenzoate
CID 118029965
(4-phenylmethoxycarbonylphenyl) 6-hydroxynaphthalene-2-carboxylate
CID 101418946
[1-[2-(4-propoxybenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 4-propoxybenzoate
CID 158022369
ethane-1,2-diol;4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;terephthalic acid
CID 90113672
(6-hydroxynaphthalen-2-yl) 4-hydroxybenzoate
CID 70557557
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoic acid;4-[4-(4-hydroxyphenyl)phenoxy]carbonylbenzoic acid
CID 69304710
[4-[(E)-3-[1-[2-[(E)-3-(4-benzoyloxyphenyl)prop-2-enoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxy-3-oxoprop-1-enyl]phenyl] benzoate
CID 146437675
[1-[3-[6-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalene-2-carbonyl]oxynaphthalen-1-yl]naphthalen-2-yl] 6-[4-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxybenzoyl]oxynaphthalene-2-carboxylate
CID 118100011
[4-[4-[1-[2-[4-[4-[4-[2-(3-ethyloxetan-3-yl)ethyl]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl]phenyl] 4-[2-(3-ethyloxetan-3-yl)ethyl]benzoate
CID 58309027

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate?
The IUPAC name of [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate (CID 118029962) is [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate is O=C(Oc1ccc(C(=O)Oc2ccc3ccccc3c2-c2c(OC(=O)c3ccc(OC(=O)c4ccc5cc(O)ccc5c4)cc3)ccc3ccccc23)cc1)c1ccc2cc(O)ccc2c1.
What is the InChIKey of [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate?
The InChIKey is QAUOGMRCSJDDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34O10/c57-43-21-13-37-29-41(11-9-39(37)31-43)55(61)63-45-23-15-35(16-24-45)53(59)65-49-27-19-33-5-1-3-7-47(33)51(49)52-48-8-4-2-6-34(48)20-28-50(52)66-54(60)36-17-25-46(26-18-36)64-56(62)42-12-10-40-32-44(58)22-14-38(40)30-42/h1-32,57-58H.
What are the key properties of [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate?
[4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate has a molecular weight of 866.88 g/mol, XLogP of 12.25, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-[4-(6-hydroxynaphthalene-2-carbonyl)oxybenzoyl]oxynaphthalen-1-yl]naphthalen-2-yl]oxycarbonylphenyl] 6-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 118029962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).