1-(2-naphthalen-1-ylpentan-3-yl)naphthalene

C25H24 — CID 57238705

IUPAC1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
SMILESCCC(c1cccc2ccccc12)C(C)c1cccc2ccccc12
InChIInChI=1S/C25H24/c1-3-21(25-17-9-13-20-11-5-7-15-24(20)25)18(2)22-16-8-12-19-10-4-6-14-23(19)22/h4-18,21H,3H2,1-2H3
InChIKeyJRMDFSOATUBLDE-UHFFFAOYSA-N
MW324.47 g/mol
LogP7.29
Rot. Bonds4

About 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene

1-(2-naphthalen-1-ylpentan-3-yl)naphthalene (PubChem CID 57238705) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene.

Molecular Properties

Compound Name1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
PubChem CID57238705
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
SMILESCCC(c1cccc2ccccc12)C(C)c1cccc2ccccc12
InChIInChI=1S/C25H24/c1-3-21(25-17-9-13-20-11-5-7-15-24(20)25)18(2)22-16-8-12-19-10-4-6-14-23(19)22/h4-18,21H,3H2,1-2H3
InChIKeyJRMDFSOATUBLDE-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-chloropentan-2-yl)naphthalene
CID 79308301
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
butane;1-propan-2-ylnaphthalene
CID 157253186
3-naphthalen-1-ylbutane-1,2-diamine
CID 142736205
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 57075140
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
CID 173360990
CID 173360990

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene?
The IUPAC name of 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene (CID 57238705) is 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene.
What is the SMILES notation for 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene?
The canonical SMILES for 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene is CCC(c1cccc2ccccc12)C(C)c1cccc2ccccc12.
What is the InChIKey of 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene?
The InChIKey is JRMDFSOATUBLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24/c1-3-21(25-17-9-13-20-11-5-7-15-24(20)25)18(2)22-16-8-12-19-10-4-6-14-23(19)22/h4-18,21H,3H2,1-2H3.
What are the key properties of 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene?
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene has a molecular weight of 324.47 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-ylpentan-3-yl)naphthalene is sourced from PubChem (CID 57238705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).