4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide

C28H21NO2 — CID 123463090

IUPAC4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide
SMILESCC(=O)c1ccc(C2(c3ccc(C(N)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H21NO2/c1-18(30)19-10-14-21(15-11-19)28(22-16-12-20(13-17-22)27(29)31)25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-17H,1H3,(H2,29,31)
InChIKeyMBNKWIWOPRETAD-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.35
Rot. Bonds4

About 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide

4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide (PubChem CID 123463090) has the molecular formula C28H21NO2 and a molecular weight of 403.48 g/mol. Its IUPAC name is 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide.

Molecular Properties

Compound Name4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide
PubChem CID123463090
Molecular FormulaC28H21NO2
Molecular Weight403.48 g/mol
Exact Mass403.16
IUPAC Name4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide
SMILESCC(=O)c1ccc(C2(c3ccc(C(N)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H21NO2/c1-18(30)19-10-14-21(15-11-19)28(22-16-12-20(13-17-22)27(29)31)25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-17H,1H3,(H2,29,31)
InChIKeyMBNKWIWOPRETAD-UHFFFAOYSA-N
XLogP5.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide?
The IUPAC name of 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide (CID 123463090) is 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide.
What is the SMILES notation for 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide?
The canonical SMILES for 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide is CC(=O)c1ccc(C2(c3ccc(C(N)=O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide?
The InChIKey is MBNKWIWOPRETAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2/c1-18(30)19-10-14-21(15-11-19)28(22-16-12-20(13-17-22)27(29)31)25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-17H,1H3,(H2,29,31).
What are the key properties of 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide?
4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide is sourced from PubChem (CID 123463090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).