1-(3-pentyl-1H-inden-2-yl)naphthalene

C24H24 — CID 173084421

IUPAC1-(3-pentyl-1H-inden-2-yl)naphthalene
SMILESCCCCCC1=C(c2cccc3ccccc23)Cc2ccccc21
InChIInChI=1S/C24H24/c1-2-3-4-15-22-21-14-8-6-11-19(21)17-24(22)23-16-9-12-18-10-5-7-13-20(18)23/h5-14,16H,2-4,15,17H2,1H3
InChIKeyWSLLWFZXKNUSCN-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.89
Rot. Bonds5

About 1-(3-pentyl-1H-inden-2-yl)naphthalene

1-(3-pentyl-1H-inden-2-yl)naphthalene (PubChem CID 173084421) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(3-pentyl-1H-inden-2-yl)naphthalene.

Molecular Properties

Compound Name1-(3-pentyl-1H-inden-2-yl)naphthalene
PubChem CID173084421
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-(3-pentyl-1H-inden-2-yl)naphthalene
SMILESCCCCCC1=C(c2cccc3ccccc23)Cc2ccccc21
InChIInChI=1S/C24H24/c1-2-3-4-15-22-21-14-8-6-11-19(21)17-24(22)23-16-9-12-18-10-5-7-13-20(18)23/h5-14,16H,2-4,15,17H2,1H3
InChIKeyWSLLWFZXKNUSCN-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-3-octyl-1H-indene
CID 21095685
3-butyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 173084970
3-propyl-2-(2-propylphenyl)-1H-indene
CID 173084830
3-butyl-2-methyl-1H-indene
CID 15422807
3-butyl-2-propyl-1H-indene
CID 141343467
9H-fluorene;henicosane
CID 174789372
1-naphthalen-1-yl-3-pentylnaphthalene
CID 23002709
bis(3-butyl-1H-inden-2-yl)-dimethylsilane
CID 22395100
bis(9H-fluorene);pentane
CID 159146463
9H-fluorene;nonylbenzene
CID 161236553
3-methyl-2-(3-propyl-1H-inden-2-yl)-1H-pyrrole
CID 173085144
bis(9H-fluorene);methane;pentane
CID 158815702

Frequently Asked Questions

What is the IUPAC name of 1-(3-pentyl-1H-inden-2-yl)naphthalene?
The IUPAC name of 1-(3-pentyl-1H-inden-2-yl)naphthalene (CID 173084421) is 1-(3-pentyl-1H-inden-2-yl)naphthalene.
What is the SMILES notation for 1-(3-pentyl-1H-inden-2-yl)naphthalene?
The canonical SMILES for 1-(3-pentyl-1H-inden-2-yl)naphthalene is CCCCCC1=C(c2cccc3ccccc23)Cc2ccccc21.
What is the InChIKey of 1-(3-pentyl-1H-inden-2-yl)naphthalene?
The InChIKey is WSLLWFZXKNUSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-2-3-4-15-22-21-14-8-6-11-19(21)17-24(22)23-16-9-12-18-10-5-7-13-20(18)23/h5-14,16H,2-4,15,17H2,1H3.
What are the key properties of 1-(3-pentyl-1H-inden-2-yl)naphthalene?
1-(3-pentyl-1H-inden-2-yl)naphthalene has a molecular weight of 312.46 g/mol, XLogP of 6.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pentyl-1H-inden-2-yl)naphthalene is sourced from PubChem (CID 173084421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).