1-decyl-2-phenyl-1H-indene

C25H32 — CID 91542453

IUPAC1-decyl-2-phenyl-1H-indene
SMILESCCCCCCCCCCC1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C25H32/c1-2-3-4-5-6-7-8-12-19-24-23-18-14-13-17-22(23)20-25(24)21-15-10-9-11-16-21/h9-11,13-18,20,24H,2-8,12,19H2,1H3
InChIKeyVVHPPIXEMCSLGS-UHFFFAOYSA-N
MW332.53 g/mol
LogP7.86
Rot. Bonds10

About 1-decyl-2-phenyl-1H-indene

1-decyl-2-phenyl-1H-indene (PubChem CID 91542453) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-decyl-2-phenyl-1H-indene.

Molecular Properties

Compound Name1-decyl-2-phenyl-1H-indene
PubChem CID91542453
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Name1-decyl-2-phenyl-1H-indene
SMILESCCCCCCCCCCC1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C25H32/c1-2-3-4-5-6-7-8-12-19-24-23-18-14-13-17-22(23)20-25(24)21-15-10-9-11-16-21/h9-11,13-18,20,24H,2-8,12,19H2,1H3
InChIKeyVVHPPIXEMCSLGS-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 57.86
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

1-heptyl-2-phenyl-1H-indene
CID 91113646
9-nonyl-9H-fluorene
CID 22568532
1,1'-biphenyl;hexadecane
CID 173308514
1,3-dimethyl-2-(1-propyl-1H-inden-2-yl)phosphole
CID 21095736
trimethyl-(2-phenyl-1H-inden-1-yl)silane
CID 91802110
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
3-methyl-2-nonyl-2H-naphthalen-1-one
CID 141348039
CID 162143943
CID 162143943
5-ethyl-1-[3-(1-ethyl-1H-inden-2-yl)phenyl]dodecan-6-one
CID 143816330
2-(4-phenylbutyl)-1-propyl-1H-indene
CID 58673845
1-ethyl-4-hexyl-1,2,3,4-tetrahydronaphthalene
CID 71392483
benzene;heptane;hexane;toluene
CID 160959480

Frequently Asked Questions

What is the IUPAC name of 1-decyl-2-phenyl-1H-indene?
The IUPAC name of 1-decyl-2-phenyl-1H-indene (CID 91542453) is 1-decyl-2-phenyl-1H-indene.
What is the SMILES notation for 1-decyl-2-phenyl-1H-indene?
The canonical SMILES for 1-decyl-2-phenyl-1H-indene is CCCCCCCCCCC1C(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of 1-decyl-2-phenyl-1H-indene?
The InChIKey is VVHPPIXEMCSLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-2-3-4-5-6-7-8-12-19-24-23-18-14-13-17-22(23)20-25(24)21-15-10-9-11-16-21/h9-11,13-18,20,24H,2-8,12,19H2,1H3.
What are the key properties of 1-decyl-2-phenyl-1H-indene?
1-decyl-2-phenyl-1H-indene has a molecular weight of 332.53 g/mol, XLogP of 7.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2-phenyl-1H-indene is sourced from PubChem (CID 91542453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).