1-naphthalen-1-yl-3-pentylnaphthalene

C25H24 — CID 23002709

IUPAC1-naphthalen-1-yl-3-pentylnaphthalene
SMILESCCCCCc1cc(-c2cccc3ccccc23)c2ccccc2c1
InChIInChI=1S/C25H24/c1-2-3-4-10-19-17-21-12-6-8-15-23(21)25(18-19)24-16-9-13-20-11-5-7-14-22(20)24/h5-9,11-18H,2-4,10H2,1H3
InChIKeyYNXXGATVPFNIAP-UHFFFAOYSA-N
MW324.47 g/mol
LogP7.39
Rot. Bonds5

About 1-naphthalen-1-yl-3-pentylnaphthalene

1-naphthalen-1-yl-3-pentylnaphthalene (PubChem CID 23002709) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-pentylnaphthalene.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-pentylnaphthalene
PubChem CID23002709
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name1-naphthalen-1-yl-3-pentylnaphthalene
SMILESCCCCCc1cc(-c2cccc3ccccc23)c2ccccc2c1
InChIInChI=1S/C25H24/c1-2-3-4-10-19-17-21-12-6-8-15-23(21)25(18-19)24-16-9-13-20-11-5-7-14-22(20)24/h5-9,11-18H,2-4,10H2,1H3
InChIKeyYNXXGATVPFNIAP-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-N-methylnaphthalen-1-amine
CID 175279970
N-methyl-1-(3-pentylnaphthalen-1-yl)ethanamine
CID 171628469
6-pentylnaphthalen-1-ol
CID 69480806
calcium bis(3-decylnaphthalene-1-sulfonate)
CID 101317390
5,11-bis(4-pentylphenyl)tetracene
CID 132571362
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2,7-dipentylpyrene
CID 174968466
1,2,3-trioctylnaphthalene
CID 20513034
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
1-tetradecylnaphthalene
CID 14402128
5-bromo-2-octylpyrene
CID 140890961

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-pentylnaphthalene?
The IUPAC name of 1-naphthalen-1-yl-3-pentylnaphthalene (CID 23002709) is 1-naphthalen-1-yl-3-pentylnaphthalene.
What is the SMILES notation for 1-naphthalen-1-yl-3-pentylnaphthalene?
The canonical SMILES for 1-naphthalen-1-yl-3-pentylnaphthalene is CCCCCc1cc(-c2cccc3ccccc23)c2ccccc2c1.
What is the InChIKey of 1-naphthalen-1-yl-3-pentylnaphthalene?
The InChIKey is YNXXGATVPFNIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24/c1-2-3-4-10-19-17-21-12-6-8-15-23(21)25(18-19)24-16-9-13-20-11-5-7-14-22(20)24/h5-9,11-18H,2-4,10H2,1H3.
What are the key properties of 1-naphthalen-1-yl-3-pentylnaphthalene?
1-naphthalen-1-yl-3-pentylnaphthalene has a molecular weight of 324.47 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-pentylnaphthalene is sourced from PubChem (CID 23002709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).