5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

C26H18O2 — CID 139963293

IUPAC5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
SMILESC#Cc1cccc2c(-c3c(OC)ccc4c(C#C)cccc34)c(OC)ccc12
InChIInChI=1S/C26H18O2/c1-5-17-9-7-11-21-19(17)13-15-23(27-3)25(21)26-22-12-8-10-18(6-2)20(22)14-16-24(26)28-4/h1-2,7-16H,3-4H3
InChIKeyITQUMULZHLGBQY-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.64
Rot. Bonds3

About 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene

5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene (PubChem CID 139963293) has the molecular formula C26H18O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene.

Molecular Properties

Compound Name5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
PubChem CID139963293
Molecular FormulaC26H18O2
Molecular Weight362.43 g/mol
Exact Mass362.13
IUPAC Name5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
SMILESC#Cc1cccc2c(-c3c(OC)ccc4c(C#C)cccc34)c(OC)ccc12
InChIInChI=1S/C26H18O2/c1-5-17-9-7-11-21-19(17)13-15-23(27-3)25(21)26-22-12-8-10-18(6-2)20(22)14-16-24(26)28-4/h1-2,7-16H,3-4H3
InChIKeyITQUMULZHLGBQY-UHFFFAOYSA-N
XLogP5.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-ethynyl-5-fluoronaphthalene
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1-ethynyl-2,3-bis(methoxymethoxy)benzene
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1-ethynyl-2-(3-methoxyphenoxy)benzene
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[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
1,3,5-triethynylnaphthalene
CID 139963259
1-ethynyl-5-phenylnaphthalene
CID 162499401
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
4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
1-[2-(4-ethynyl-2,3-dimethoxyphenyl)ethynyl]pyrene
CID 71445132

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The IUPAC name of 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene (CID 139963293) is 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene.
What is the SMILES notation for 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The canonical SMILES for 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene is C#Cc1cccc2c(-c3c(OC)ccc4c(C#C)cccc34)c(OC)ccc12.
What is the InChIKey of 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
The InChIKey is ITQUMULZHLGBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18O2/c1-5-17-9-7-11-21-19(17)13-15-23(27-3)25(21)26-22-12-8-10-18(6-2)20(22)14-16-24(26)28-4/h1-2,7-16H,3-4H3.
What are the key properties of 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene?
5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene has a molecular weight of 362.43 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene is sourced from PubChem (CID 139963293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).