1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene

C36H40O — CID 151043305

IUPAC1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene
SMILESCCCCCCC(CCCCC)Oc1ccc2ccccc2c1-c1cccc2cc3ccccc3cc12
InChIInChI=1S/C36H40O/c1-3-5-7-9-20-31(19-8-6-4-2)37-35-24-23-27-15-12-13-21-32(27)36(35)33-22-14-18-30-25-28-16-10-11-17-29(28)26-34(30)33/h10-18,21-26,31H,3-9,19-20H2,1-2H3
InChIKeyMCNUNSROLYYMMK-UHFFFAOYSA-N
MW488.72 g/mol
LogP11.11
Rot. Bonds12

About 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene

1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene (PubChem CID 151043305) has the molecular formula C36H40O and a molecular weight of 488.72 g/mol. Its IUPAC name is 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene
PubChem CID151043305
Molecular FormulaC36H40O
Molecular Weight488.72 g/mol
Exact Mass488.31
IUPAC Name1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene
SMILESCCCCCCC(CCCCC)Oc1ccc2ccccc2c1-c1cccc2cc3ccccc3cc12
InChIInChI=1S/C36H40O/c1-3-5-7-9-20-31(19-8-6-4-2)37-35-24-23-27-15-12-13-21-32(27)36(35)33-22-14-18-30-25-28-16-10-11-17-29(28)26-34(30)33/h10-18,21-26,31H,3-9,19-20H2,1-2H3
InChIKeyMCNUNSROLYYMMK-UHFFFAOYSA-N
XLogP11.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene?
The IUPAC name of 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene (CID 151043305) is 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene.
What is the SMILES notation for 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene?
The canonical SMILES for 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene is CCCCCCC(CCCCC)Oc1ccc2ccccc2c1-c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene?
The InChIKey is MCNUNSROLYYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40O/c1-3-5-7-9-20-31(19-8-6-4-2)37-35-24-23-27-15-12-13-21-32(27)36(35)33-22-14-18-30-25-28-16-10-11-17-29(28)26-34(30)33/h10-18,21-26,31H,3-9,19-20H2,1-2H3.
What are the key properties of 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene?
1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene has a molecular weight of 488.72 g/mol, XLogP of 11.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecan-6-yloxynaphthalen-1-yl)anthracene is sourced from PubChem (CID 151043305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).