1-(4-naphthalen-1-yloctan-4-yl)naphthalene

C28H30 — CID 174772788

IUPAC1-(4-naphthalen-1-yloctan-4-yl)naphthalene
SMILESCCCCC(CCC)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C28H30/c1-3-5-21-28(20-4-2,26-18-10-14-22-12-6-8-16-24(22)26)27-19-11-15-23-13-7-9-17-25(23)27/h6-19H,3-5,20-21H2,1-2H3
InChIKeyKWDICUDKWGLKSC-UHFFFAOYSA-N
MW366.55 g/mol
LogP8.27
Rot. Bonds7

About 1-(4-naphthalen-1-yloctan-4-yl)naphthalene

1-(4-naphthalen-1-yloctan-4-yl)naphthalene (PubChem CID 174772788) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-(4-naphthalen-1-yloctan-4-yl)naphthalene.

Molecular Properties

Compound Name1-(4-naphthalen-1-yloctan-4-yl)naphthalene
PubChem CID174772788
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name1-(4-naphthalen-1-yloctan-4-yl)naphthalene
SMILESCCCCC(CCC)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C28H30/c1-3-5-21-28(20-4-2,26-18-10-14-22-12-6-8-16-24(22)26)27-19-11-15-23-13-7-9-17-25(23)27/h6-19H,3-5,20-21H2,1-2H3
InChIKeyKWDICUDKWGLKSC-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-naphthalen-1-ylheptan-4-ol
CID 114866255
tributyl(5,8,8,8-tetranaphthalen-1-yloctan-4-yl)azanium
CID 175435786
1-(1,1-dichloro-2-methyldecyl)naphthalene
CID 151559313
1-(1,1-dimethoxy-1-naphthalen-1-yldecan-2-yl)naphthalene
CID 150761297
4-(1,1-dinaphthalen-1-ylbutyl)aniline
CID 141141180
1-(2-methylpentan-2-yl)phenanthrene
CID 154130631
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
2,2-dibutyl-N,N'-dinaphthalen-1-ylpropanediamide
CID 14812883
1-[2-methyl-3-(2-methyl-3-phenylpropyl)-3-phenylheptan-2-yl]naphthalene
CID 173298077
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
5-naphthalen-1-yl-4-propylheptadecan-4-amine;hydrate
CID 173442364
heptane;phenanthrene
CID 157482146

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-1-yloctan-4-yl)naphthalene?
The IUPAC name of 1-(4-naphthalen-1-yloctan-4-yl)naphthalene (CID 174772788) is 1-(4-naphthalen-1-yloctan-4-yl)naphthalene.
What is the SMILES notation for 1-(4-naphthalen-1-yloctan-4-yl)naphthalene?
The canonical SMILES for 1-(4-naphthalen-1-yloctan-4-yl)naphthalene is CCCCC(CCC)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-(4-naphthalen-1-yloctan-4-yl)naphthalene?
The InChIKey is KWDICUDKWGLKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30/c1-3-5-21-28(20-4-2,26-18-10-14-22-12-6-8-16-24(22)26)27-19-11-15-23-13-7-9-17-25(23)27/h6-19H,3-5,20-21H2,1-2H3.
What are the key properties of 1-(4-naphthalen-1-yloctan-4-yl)naphthalene?
1-(4-naphthalen-1-yloctan-4-yl)naphthalene has a molecular weight of 366.55 g/mol, XLogP of 8.27, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-1-yloctan-4-yl)naphthalene is sourced from PubChem (CID 174772788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).