tris(fluoren-9-one);methane;methanol;propane

C44H40O4 — CID 158940113

IUPACtris(fluoren-9-one);methane;methanol;propane
SMILESC.CCC.CO.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/3C13H8O.C3H8.CH4O.CH4/c3*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-2;1-2;/h3*1-8H;3H2,1-2H3;2H,1H3;1H4
InChIKeyJKDICZALZVAVMV-UHFFFAOYSA-N
MW632.80 g/mol
LogP10.35
Rot. Bonds

About tris(fluoren-9-one);methane;methanol;propane

tris(fluoren-9-one);methane;methanol;propane (PubChem CID 158940113) has the molecular formula C44H40O4 and a molecular weight of 632.80 g/mol. Its IUPAC name is tris(fluoren-9-one);methane;methanol;propane.

Molecular Properties

Compound Nametris(fluoren-9-one);methane;methanol;propane
PubChem CID158940113
Molecular FormulaC44H40O4
Molecular Weight632.80 g/mol
Exact Mass632.29
IUPAC Nametris(fluoren-9-one);methane;methanol;propane
SMILESC.CCC.CO.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21
InChIInChI=1S/3C13H8O.C3H8.CH4O.CH4/c3*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-2;1-2;/h3*1-8H;3H2,1-2H3;2H,1H3;1H4
InChIKeyJKDICZALZVAVMV-UHFFFAOYSA-N
XLogP10.35
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.80
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162068050
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CID 174594472
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 66807709
CID 66807709
phenanthrene-9,10-dione
CID 6763
anthracene-9,10-dione;propane-1,2-diol
CID 174585361
anthracene-9,10-dione;carbanide;ethane;yttrium
CID 165067148
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925

Frequently Asked Questions

What is the IUPAC name of tris(fluoren-9-one);methane;methanol;propane?
The IUPAC name of tris(fluoren-9-one);methane;methanol;propane (CID 158940113) is tris(fluoren-9-one);methane;methanol;propane.
What is the SMILES notation for tris(fluoren-9-one);methane;methanol;propane?
The canonical SMILES for tris(fluoren-9-one);methane;methanol;propane is C.CCC.CO.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21.O=C1c2ccccc2-c2ccccc21.
What is the InChIKey of tris(fluoren-9-one);methane;methanol;propane?
The InChIKey is JKDICZALZVAVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H8O.C3H8.CH4O.CH4/c3*14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13;1-3-2;1-2;/h3*1-8H;3H2,1-2H3;2H,1H3;1H4.
What are the key properties of tris(fluoren-9-one);methane;methanol;propane?
tris(fluoren-9-one);methane;methanol;propane has a molecular weight of 632.80 g/mol, XLogP of 10.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(fluoren-9-one);methane;methanol;propane is sourced from PubChem (CID 158940113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).