9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene

C35H34 — CID 139240363

IUPAC9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene
SMILESCCC(CC)(c1ccccc1)C1C=C(CCC2=c3ccccc3=C3C=CC=CC32)c2ccccc21
InChIInChI=1S/C35H34/c1-3-35(4-2,26-14-6-5-7-15-26)34-24-25(27-16-8-13-21-33(27)34)22-23-32-30-19-11-9-17-28(30)29-18-10-12-20-31(29)32/h5-21,24,30,34H,3-4,22-23H2,1-2H3
InChIKeyJPJXBBCJEKHRGZ-UHFFFAOYSA-N
MW454.66 g/mol
LogP7.46
Rot. Bonds7

About 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene

9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene (PubChem CID 139240363) has the molecular formula C35H34 and a molecular weight of 454.66 g/mol. Its IUPAC name is 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene.

Molecular Properties

Compound Name9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene
PubChem CID139240363
Molecular FormulaC35H34
Molecular Weight454.66 g/mol
Exact Mass454.27
IUPAC Name9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene
SMILESCCC(CC)(c1ccccc1)C1C=C(CCC2=c3ccccc3=C3C=CC=CC32)c2ccccc21
InChIInChI=1S/C35H34/c1-3-35(4-2,26-14-6-5-7-15-26)34-24-25(27-16-8-13-21-33(27)34)22-23-32-30-19-11-9-17-28(30)29-18-10-12-20-31(29)32/h5-21,24,30,34H,3-4,22-23H2,1-2H3
InChIKeyJPJXBBCJEKHRGZ-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene with MolForge

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Related Compounds

9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene
CID 139240365
9-[3-(8aH-fluoren-9-yl)propyl]-9H-fluorene;zirconium(2+);dichloride
CID 173167014
9-[1-(8aH-fluoren-9-yl)ethyl]-9H-fluorene;zirconium(2+);dichloride
CID 173217036
9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene
CID 135489716
9-[6-(8aH-fluoren-9-yl)decan-5-yl]-9H-fluorene;zirconium(2+);dichloride
CID 173317544
8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223274
8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223344
9-[2-(8aH-fluoren-9-yl)-1,2-diphenylethyl]-9H-fluorene;zirconium(2+);dichloride
CID 173317651
8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride
CID 173310572
9-propan-2-yl-4aH-fluorene
CID 59892983
(3-ethyl-1H-inden-1-yl)-trimethylsilane
CID 135047164
trimethyl-[[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-inden-1-yl]methyl]silane
CID 178090504

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene?
The IUPAC name of 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene (CID 139240363) is 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene.
What is the SMILES notation for 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene?
The canonical SMILES for 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene is CCC(CC)(c1ccccc1)C1C=C(CCC2=c3ccccc3=C3C=CC=CC32)c2ccccc21.
What is the InChIKey of 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene?
The InChIKey is JPJXBBCJEKHRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34/c1-3-35(4-2,26-14-6-5-7-15-26)34-24-25(27-16-8-13-21-33(27)34)22-23-32-30-19-11-9-17-28(30)29-18-10-12-20-31(29)32/h5-21,24,30,34H,3-4,22-23H2,1-2H3.
What are the key properties of 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene?
9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene has a molecular weight of 454.66 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene is sourced from PubChem (CID 139240363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).