1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone

C33H30O2 — CID 157120935

IUPAC1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc3c(c2)Cc2cc(CC(=O)c4ccc(C)c(C)c4)ccc2-3)cc1C
InChIInChI=1S/C33H30O2/c1-20-5-9-26(13-22(20)3)32(34)17-24-7-11-30-28(15-24)19-29-16-25(8-12-31(29)30)18-33(35)27-10-6-21(2)23(4)14-27/h5-16H,17-19H2,1-4H3
InChIKeyFVVSHPPHOWHVIX-UHFFFAOYSA-N
MW458.60 g/mol
LogP7.34
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone

1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone (PubChem CID 157120935) has the molecular formula C33H30O2 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
PubChem CID157120935
Molecular FormulaC33H30O2
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC Name1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone
SMILESCc1ccc(C(=O)Cc2ccc3c(c2)Cc2cc(CC(=O)c4ccc(C)c(C)c4)ccc2-3)cc1C
InChIInChI=1S/C33H30O2/c1-20-5-9-26(13-22(20)3)32(34)17-24-7-11-30-28(15-24)19-29-16-25(8-12-31(29)30)18-33(35)27-10-6-21(2)23(4)14-27/h5-16H,17-19H2,1-4H3
InChIKeyFVVSHPPHOWHVIX-UHFFFAOYSA-N
XLogP7.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(3,4-dimethylphenyl)-1-(5-methylfuran-3-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone (CID 157120935) is 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone is Cc1ccc(C(=O)Cc2ccc3c(c2)Cc2cc(CC(=O)c4ccc(C)c(C)c4)ccc2-3)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone?
The InChIKey is FVVSHPPHOWHVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O2/c1-20-5-9-26(13-22(20)3)32(34)17-24-7-11-30-28(15-24)19-29-16-25(8-12-31(29)30)18-33(35)27-10-6-21(2)23(4)14-27/h5-16H,17-19H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone?
1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone has a molecular weight of 458.60 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[7-[2-(3,4-dimethylphenyl)-2-oxoethyl]-9H-fluoren-2-yl]ethanone is sourced from PubChem (CID 157120935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).