1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one

C32H29NO2 — CID 146767273

IUPAC1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one
SMILESCN(C)C(C)(Cc1ccccc1)C(=O)c1ccc2c(c1)Cc1cc(C(=O)c3ccccc3)ccc1-2
InChIInChI=1S/C32H29NO2/c1-32(33(2)3,21-22-10-6-4-7-11-22)31(35)25-15-17-29-27(19-25)20-26-18-24(14-16-28(26)29)30(34)23-12-8-5-9-13-23/h4-19H,20-21H2,1-3H3
InChIKeyRQWHHUDICPRFRQ-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.23
Rot. Bonds7

About 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one

1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one (PubChem CID 146767273) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one
PubChem CID146767273
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one
SMILESCN(C)C(C)(Cc1ccccc1)C(=O)c1ccc2c(c1)Cc1cc(C(=O)c3ccccc3)ccc1-2
InChIInChI=1S/C32H29NO2/c1-32(33(2)3,21-22-10-6-4-7-11-22)31(35)25-15-17-29-27(19-25)20-26-18-24(14-16-28(26)29)30(34)23-12-8-5-9-13-23/h4-19H,20-21H2,1-3H3
InChIKeyRQWHHUDICPRFRQ-UHFFFAOYSA-N
XLogP6.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzoylphenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 19049443
1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one
CID 163773437
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
(2S)-3-(4-benzoylphenyl)-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 90761368
2-benzyl-2-(dimethylamino)-1,3-diphenylpropan-1-one
CID 19049414
3-(2-chlorophenyl)-2-(dimethylamino)-2-methyl-1-phenylpropan-1-one
CID 19049591
1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one
CID 177311615
2-(dimethylamino)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 79057003
2,2-dimethylpropane;diphenylmethanone
CID 159191976
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486

Frequently Asked Questions

What is the IUPAC name of 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one (CID 146767273) is 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one is CN(C)C(C)(Cc1ccccc1)C(=O)c1ccc2c(c1)Cc1cc(C(=O)c3ccccc3)ccc1-2.
What is the InChIKey of 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one?
The InChIKey is RQWHHUDICPRFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO2/c1-32(33(2)3,21-22-10-6-4-7-11-22)31(35)25-15-17-29-27(19-25)20-26-18-24(14-16-28(26)29)30(34)23-12-8-5-9-13-23/h4-19H,20-21H2,1-3H3.
What are the key properties of 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one?
1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one has a molecular weight of 459.59 g/mol, XLogP of 6.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 146767273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).