1-heptyl-2-phenyl-1H-indene

C22H26 — CID 91113646

IUPAC1-heptyl-2-phenyl-1H-indene
SMILESCCCCCCCC1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C22H26/c1-2-3-4-5-9-16-21-20-15-11-10-14-19(20)17-22(21)18-12-7-6-8-13-18/h6-8,10-15,17,21H,2-5,9,16H2,1H3
InChIKeyFVILIMGMVKXSTQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP6.68
Rot. Bonds7

About 1-heptyl-2-phenyl-1H-indene

1-heptyl-2-phenyl-1H-indene (PubChem CID 91113646) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-heptyl-2-phenyl-1H-indene.

Molecular Properties

Compound Name1-heptyl-2-phenyl-1H-indene
PubChem CID91113646
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name1-heptyl-2-phenyl-1H-indene
SMILESCCCCCCCC1C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C22H26/c1-2-3-4-5-9-16-21-20-15-11-10-14-19(20)17-22(21)18-12-7-6-8-13-18/h6-8,10-15,17,21H,2-5,9,16H2,1H3
InChIKeyFVILIMGMVKXSTQ-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 56.68
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-decyl-2-phenyl-1H-indene
CID 91542453
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
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
trimethyl-(2-phenyl-1H-inden-1-yl)silane
CID 91802110
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
(1R)-1-methyl-2-[3-[4-[(2S)-octan-2-yl]cyclohexyl]phenyl]-1H-indene
CID 145300566

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2-phenyl-1H-indene?
The IUPAC name of 1-heptyl-2-phenyl-1H-indene (CID 91113646) is 1-heptyl-2-phenyl-1H-indene.
What is the SMILES notation for 1-heptyl-2-phenyl-1H-indene?
The canonical SMILES for 1-heptyl-2-phenyl-1H-indene is CCCCCCCC1C(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of 1-heptyl-2-phenyl-1H-indene?
The InChIKey is FVILIMGMVKXSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-2-3-4-5-9-16-21-20-15-11-10-14-19(20)17-22(21)18-12-7-6-8-13-18/h6-8,10-15,17,21H,2-5,9,16H2,1H3.
What are the key properties of 1-heptyl-2-phenyl-1H-indene?
1-heptyl-2-phenyl-1H-indene has a molecular weight of 290.45 g/mol, XLogP of 6.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2-phenyl-1H-indene is sourced from PubChem (CID 91113646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).