1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone

C27H28O — CID 129094188

IUPAC1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone
SMILESCCCC1(CCC)c2ccccc2-c2ccc(C(=O)Cc3ccccc3)cc21
InChIInChI=1S/C27H28O/c1-3-16-27(17-4-2)24-13-9-8-12-22(24)23-15-14-21(19-25(23)27)26(28)18-20-10-6-5-7-11-20/h5-15,19H,3-4,16-18H2,1-2H3
InChIKeyXJCMXTIBHNFIJW-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.98
Rot. Bonds7

About 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone

1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone (PubChem CID 129094188) has the molecular formula C27H28O and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone
PubChem CID129094188
Molecular FormulaC27H28O
Molecular Weight368.52 g/mol
Exact Mass368.21
IUPAC Name1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone
SMILESCCCC1(CCC)c2ccccc2-c2ccc(C(=O)Cc3ccccc3)cc21
InChIInChI=1S/C27H28O/c1-3-16-27(17-4-2)24-13-9-8-12-22(24)23-15-14-21(19-25(23)27)26(28)18-20-10-6-5-7-11-20/h5-15,19H,3-4,16-18H2,1-2H3
InChIKeyXJCMXTIBHNFIJW-UHFFFAOYSA-N
XLogP6.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723
1-(9,9-diethylfluoren-2-yl)propan-1-one
CID 122485363
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
2-phenyl-9,9-dipropylfluorene
CID 154114384
9,9-bis(2-phenylmethoxyethyl)fluorene-2-carboxylic acid
CID 86067047
benzyl (4E)-4-acetyloxyimino-5-(9,9-dipropylfluoren-2-yl)-5-oxopentanoate
CID 122597218
1-(9,9-dipropylfluoren-2-yl)-2-imino-2-naphthalen-1-ylethanone
CID 134225148
(NZ)-N-[(9,9-dipropylfluoren-2-yl)-naphthalen-1-ylmethylidene]hydroxylamine
CID 118371891
[(E)-[1-(9,9-dipropylfluoren-2-yl)-1-oxooctan-2-ylidene]amino] acetate
CID 164786886
9,9-dihexylfluorene-2,7-dicarboxylic acid
CID 23089428
2-bromo-1-[9,9-dibutyl-7-(N-phenylanilino)fluoren-2-yl]ethanone
CID 101453749
9-ethyl-9-propylfluorene
CID 123584741

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone?
The IUPAC name of 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone (CID 129094188) is 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone is CCCC1(CCC)c2ccccc2-c2ccc(C(=O)Cc3ccccc3)cc21.
What is the InChIKey of 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone?
The InChIKey is XJCMXTIBHNFIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O/c1-3-16-27(17-4-2)24-13-9-8-12-22(24)23-15-14-21(19-25(23)27)26(28)18-20-10-6-5-7-11-20/h5-15,19H,3-4,16-18H2,1-2H3.
What are the key properties of 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone?
1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone has a molecular weight of 368.52 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone is sourced from PubChem (CID 129094188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).