3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one

C33H38O3 — CID 167065608

IUPAC3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one
SMILESCCCC1(CCC)c2cc(C(=O)CCC3CCCCC3)ccc2-c2ccc(C(=O)c3ccoc3)cc21
InChIInChI=1S/C33H38O3/c1-3-17-33(18-4-2)29-20-24(31(34)15-10-23-8-6-5-7-9-23)11-13-27(29)28-14-12-25(21-30(28)33)32(35)26-16-19-36-22-26/h11-14,16,19-23H,3-10,15,17-18H2,1-2H3
InChIKeyXIOODOPVBKSIRY-UHFFFAOYSA-N
MW482.66 g/mol
LogP8.92
Rot. Bonds10

About 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one

3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one (PubChem CID 167065608) has the molecular formula C33H38O3 and a molecular weight of 482.66 g/mol. Its IUPAC name is 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one
PubChem CID167065608
Molecular FormulaC33H38O3
Molecular Weight482.66 g/mol
Exact Mass482.28
IUPAC Name3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one
SMILESCCCC1(CCC)c2cc(C(=O)CCC3CCCCC3)ccc2-c2ccc(C(=O)c3ccoc3)cc21
InChIInChI=1S/C33H38O3/c1-3-17-33(18-4-2)29-20-24(31(34)15-10-23-8-6-5-7-9-23)11-13-27(29)28-14-12-25(21-30(28)33)32(35)26-16-19-36-22-26/h11-14,16,19-23H,3-10,15,17-18H2,1-2H3
InChIKeyXIOODOPVBKSIRY-UHFFFAOYSA-N
XLogP8.92
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.66
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(furan-3-yl)propan-1-one
CID 114971693
[(E)-[3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]-1-oxopropan-2-ylidene]amino] acetate;[(E)-[[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]-(2-methylphenyl)methylidene]amino] acetate;[(E)-[2-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]-1-(2-methylphenyl)-2-oxoethylidene]amino] acetate
CID 172966964
3-cyclohexyl-1-(3,4-diethylphenyl)propan-1-one
CID 115481878
3-cyclopentyl-1-(3,4-diethylphenyl)propan-1-one
CID 113319049
3-cyclohexyl-2-imino-1-[7-(2-methylbenzoyl)-9,9-dipropylfluoren-2-yl]propan-1-one
CID 167065613
[(Z)-[3-cyclohexyl-1-[9,9-dibutyl-7-(2,4,6-trimethylbenzoyl)fluoren-2-yl]propylidene]amino] acetate
CID 162451753
1-(furan-3-yl)-3-piperidin-4-ylpropan-1-one
CID 116563516
2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone
CID 142732979
[(E)-[3-cyclohexyl-1-(9,9-dibutylfluoren-2-yl)propylidene]amino] propanoate
CID 145288770
2-cycloheptyl-1-(furan-3-yl)ethanone
CID 114971700
3-cyclohexyl-1-(7-methylidene-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl)propan-1-one
CID 145472183
1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
CID 146008352

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one (CID 167065608) is 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one is CCCC1(CCC)c2cc(C(=O)CCC3CCCCC3)ccc2-c2ccc(C(=O)c3ccoc3)cc21.
What is the InChIKey of 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one?
The InChIKey is XIOODOPVBKSIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38O3/c1-3-17-33(18-4-2)29-20-24(31(34)15-10-23-8-6-5-7-9-23)11-13-27(29)28-14-12-25(21-30(28)33)32(35)26-16-19-36-22-26/h11-14,16,19-23H,3-10,15,17-18H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one?
3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one has a molecular weight of 482.66 g/mol, XLogP of 8.92, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[7-(furan-3-carbonyl)-9,9-dipropylfluoren-2-yl]propan-1-one is sourced from PubChem (CID 167065608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).