1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one

C31H26O2 — CID 159769253

IUPAC1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C2(c3ccc(CC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H26O2/c1-21(32)19-23-11-15-25(16-12-23)31(26-17-13-24(14-18-26)20-22(2)33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)31/h3-18H,19-20H2,1-2H3
InChIKeyWGPATKKYRGHKOL-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.31
Rot. Bonds6

About 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one

1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one (PubChem CID 159769253) has the molecular formula C31H26O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one
PubChem CID159769253
Molecular FormulaC31H26O2
Molecular Weight430.55 g/mol
Exact Mass430.19
IUPAC Name1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C2(c3ccc(CC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H26O2/c1-21(32)19-23-11-15-25(16-12-23)31(26-17-13-24(14-18-26)20-22(2)33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)31/h3-18H,19-20H2,1-2H3
InChIKeyWGPATKKYRGHKOL-UHFFFAOYSA-N
XLogP6.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[9-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]fluoren-9-yl]phenyl]acetamide
CID 5144986
benzene;1-phenylpropan-2-one
CID 21430852
4-[9-(4-acetylphenyl)fluoren-9-yl]benzamide
CID 123463090
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
9,9-diphenylfluorene;propane
CID 158205050
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
1-[9,9-bis(prop-2-enyl)fluoren-2-yl]propan-2-one
CID 174822962
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
CID 18704292
1-[2-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]prop-2-enyl]phenyl]ethanone
CID 123749941
1-(4-ethenylphenyl)propan-2-one
CID 70398942

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one (CID 159769253) is 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one is CC(=O)Cc1ccc(C2(c3ccc(CC(C)=O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one?
The InChIKey is WGPATKKYRGHKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O2/c1-21(32)19-23-11-15-25(16-12-23)31(26-17-13-24(14-18-26)20-22(2)33)29-9-5-3-7-27(29)28-8-4-6-10-30(28)31/h3-18H,19-20H2,1-2H3.
What are the key properties of 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one?
1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one has a molecular weight of 430.55 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-[4-(2-oxopropyl)phenyl]fluoren-9-yl]phenyl]propan-2-one is sourced from PubChem (CID 159769253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).