5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C52H34O6 — CID 154716275

IUPAC5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESCOc1cc(C#Cc2cccc3c(-c4c(O)ccc5ccccc45)c(O)ccc23)c(OC)cc1C#Cc1cccc2c(-c3c(O)ccc4ccccc34)c(O)ccc12
InChIInChI=1S/C52H34O6/c1-57-47-29-36(20-18-32-12-8-16-42-38(32)24-28-46(56)52(42)50-40-14-6-4-10-34(40)22-26-44(50)54)48(58-2)30-35(47)19-17-31-11-7-15-41-37(31)23-27-45(55)51(41)49-39-13-5-3-9-33(39)21-25-43(49)53/h3-16,21-30,53-56H,1-2H3
InChIKeyJUZYUJZJGVNICF-UHFFFAOYSA-N
MW754.84 g/mol
LogP11.27
Rot. Bonds4

About 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 154716275) has the molecular formula C52H34O6 and a molecular weight of 754.84 g/mol. Its IUPAC name is 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
PubChem CID154716275
Molecular FormulaC52H34O6
Molecular Weight754.84 g/mol
Exact Mass754.24
IUPAC Name5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
SMILESCOc1cc(C#Cc2cccc3c(-c4c(O)ccc5ccccc45)c(O)ccc23)c(OC)cc1C#Cc1cccc2c(-c3c(O)ccc4ccccc34)c(O)ccc12
InChIInChI=1S/C52H34O6/c1-57-47-29-36(20-18-32-12-8-16-42-38(32)24-28-46(56)52(42)50-40-14-6-4-10-34(40)22-26-44(50)54)48(58-2)30-35(47)19-17-31-11-7-15-41-37(31)23-27-45(55)51(41)49-39-13-5-3-9-33(39)21-25-43(49)53/h3-16,21-30,53-56H,1-2H3
InChIKeyJUZYUJZJGVNICF-UHFFFAOYSA-N
XLogP11.27
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.84
LogP ≤ 511.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol with MolForge

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Related Compounds

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
ethane;1-(2-hydroxy-3-methoxyphenyl)naphthalen-2-ol
CID 144695247
1-(2,5-dimethoxy-3,4-dimethylphenyl)naphthalen-2-ol
CID 15130773
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
cyanic acid;1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 70289333
tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);phosphorous acid
CID 173338729
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;N-methyl-N-phosphanylmethanamine
CID 142347259
3-(2-naphthalen-1-ylethynyl)benzene-1,2-diol
CID 67420821
diphenylarsorylbenzene;gadolinium(3+);1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 11468369

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 154716275) is 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is COc1cc(C#Cc2cccc3c(-c4c(O)ccc5ccccc45)c(O)ccc23)c(OC)cc1C#Cc1cccc2c(-c3c(O)ccc4ccccc34)c(O)ccc12.
What is the InChIKey of 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is JUZYUJZJGVNICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34O6/c1-57-47-29-36(20-18-32-12-8-16-42-38(32)24-28-46(56)52(42)50-40-14-6-4-10-34(40)22-26-44(50)54)48(58-2)30-35(47)19-17-31-11-7-15-41-37(31)23-27-45(55)51(41)49-39-13-5-3-9-33(39)21-25-43(49)53/h3-16,21-30,53-56H,1-2H3.
What are the key properties of 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?
5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 754.84 g/mol, XLogP of 11.27, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-[6-hydroxy-5-(2-hydroxynaphthalen-1-yl)naphthalen-1-yl]ethynyl]-2,5-dimethoxyphenyl]ethynyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 154716275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).