1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone

C28H27NO2 — CID 541323

IUPAC1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone
SMILESCCN(CC)c1ccc(C=C2c3cc(C(C)=O)ccc3-c3ccc(C(C)=O)cc32)cc1
InChIInChI=1S/C28H27NO2/c1-5-29(6-2)23-11-7-20(8-12-23)15-26-27-16-21(18(3)30)9-13-24(27)25-14-10-22(19(4)31)17-28(25)26/h7-17H,5-6H2,1-4H3
InChIKeyQDKOQGYYBVPTOW-UHFFFAOYSA-N
MW409.53 g/mol
LogP6.51
Rot. Bonds6

About 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone

1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone (PubChem CID 541323) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone
PubChem CID541323
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone
SMILESCCN(CC)c1ccc(C=C2c3cc(C(C)=O)ccc3-c3ccc(C(C)=O)cc32)cc1
InChIInChI=1S/C28H27NO2/c1-5-29(6-2)23-11-7-20(8-12-23)15-26-27-16-21(18(3)30)9-13-24(27)25-14-10-22(19(4)31)17-28(25)26/h7-17H,5-6H2,1-4H3
InChIKeyQDKOQGYYBVPTOW-UHFFFAOYSA-N
XLogP6.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-acetyl-9-[(4-nitrophenyl)methylidene]fluoren-2-yl]ethanone
CID 46502063
N,N-diethyl-4-[(2-nitrofluoren-9-ylidene)methyl]aniline
CID 54431747
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-[(9Z)-9-[[4-(dimethylamino)phenyl]methylidene]fluoren-2-yl]acetamide
CID 92531904
1-[7-acetyl-9-(furan-2-ylmethylidene)fluoren-2-yl]ethanone
CID 1240664
1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
CID 123268766
[4-[2-[4-(diethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 141211346
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
1-[4-(diethylamino)-3-methylphenyl]ethanone
CID 82054352
1-[4-(diethylamino)phenyl]but-2-en-1-one
CID 162367045
1-[4-(diethylamino)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 86039133

Frequently Asked Questions

What is the IUPAC name of 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone?
The IUPAC name of 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone (CID 541323) is 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone.
What is the SMILES notation for 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone?
The canonical SMILES for 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone is CCN(CC)c1ccc(C=C2c3cc(C(C)=O)ccc3-c3ccc(C(C)=O)cc32)cc1.
What is the InChIKey of 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone?
The InChIKey is QDKOQGYYBVPTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-5-29(6-2)23-11-7-20(8-12-23)15-26-27-16-21(18(3)30)9-13-24(27)25-14-10-22(19(4)31)17-28(25)26/h7-17H,5-6H2,1-4H3.
What are the key properties of 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone?
1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone has a molecular weight of 409.53 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-acetyl-9-[[4-(diethylamino)phenyl]methylidene]fluoren-2-yl]ethanone is sourced from PubChem (CID 541323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).