9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene

C28H26 — CID 15492380

IUPAC9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene
SMILESC=CCCC(CC1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26/c1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h2,4-9,11-18,21-22,28H,1,3,10,19H2
InChIKeyXADYIFNKEKYCDO-UHFFFAOYSA-N
MW362.52 g/mol
LogP7.58
Rot. Bonds6

About 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene

9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene (PubChem CID 15492380) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene.

Molecular Properties

Compound Name9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene
PubChem CID15492380
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene
SMILESC=CCCC(CC1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H26/c1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h2,4-9,11-18,21-22,28H,1,3,10,19H2
InChIKeyXADYIFNKEKYCDO-UHFFFAOYSA-N
XLogP7.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethenylphenyl)methyl]-1H-indene
CID 170649356
1H-inden-1-ylmethoxysilane
CID 137328287
(1R)-N,N-bis(prop-2-enyl)-1H-inden-1-amine
CID 141284861
1-ethenyl-1H-indene;titanium(2+);dichloride
CID 86754272
1H-inden-1-ylmethanamine;hydrochloride
CID 67915005
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
2-(1H-inden-1-yl)ethanol
CID 23288751
1H-inden-1-ylmethanol;zirconium(3+);trichloride
CID 160514692
1-prop-2-enoxy-1H-indene
CID 166691848
1-[2-(1H-inden-1-yl)ethyl]-1H-indene;propane;zirconium
CID 162275229
dichloro-[2-(1H-inden-1-yl)ethyl]silane
CID 137328288
1H-inden-1-ylmethanesulfinate
CID 68565996

Frequently Asked Questions

What is the IUPAC name of 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene?
The IUPAC name of 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene (CID 15492380) is 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene.
What is the SMILES notation for 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene?
The canonical SMILES for 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene is C=CCCC(CC1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene?
The InChIKey is XADYIFNKEKYCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-2-3-10-22(19-21-18-17-20-11-4-5-12-23(20)21)28-26-15-8-6-13-24(26)25-14-7-9-16-27(25)28/h2,4-9,11-18,21-22,28H,1,3,10,19H2.
What are the key properties of 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene?
9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene has a molecular weight of 362.52 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(1H-inden-1-yl)hex-5-en-2-yl]-9H-fluorene is sourced from PubChem (CID 15492380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).