acenaphthylene;1,3,5-trimethylbenzene

C21H20 — CID 175249677

IUPACacenaphthylene;1,3,5-trimethylbenzene
SMILESC1=Cc2cccc3cccc1c23.Cc1cc(C)cc(C)c1
InChIInChI=1S/C12H8.C9H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-7-4-8(2)6-9(3)5-7/h1-8H;4-6H,1-3H3
InChIKeyHFBWYYHCZWSVQL-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.94
Rot. Bonds

About acenaphthylene;1,3,5-trimethylbenzene

acenaphthylene;1,3,5-trimethylbenzene (PubChem CID 175249677) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is acenaphthylene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Nameacenaphthylene;1,3,5-trimethylbenzene
PubChem CID175249677
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Nameacenaphthylene;1,3,5-trimethylbenzene
SMILESC1=Cc2cccc3cccc1c23.Cc1cc(C)cc(C)c1
InChIInChI=1S/C12H8.C9H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-7-4-8(2)6-9(3)5-7/h1-8H;4-6H,1-3H3
InChIKeyHFBWYYHCZWSVQL-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

acenaphthylene;ethane
CID 54237459
acenaphthylene;benzene
CID 161131509
acenaphthylene;dibromonickel
CID 161160436
pyrene;1,3-xylene
CID 174892551
naphthalene;bis(1,3,5-trimethylbenzene)
CID 158615214
1,8-dimethylnaphthalene;bis(1,3,6,8-tetramethylnaphthalene)
CID 159825938
2-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]pyrene
CID 160595993
tri(dmp-BIAN)Ga
CID 139168373
acenaphthylene;fluoranthene;furan
CID 158545745
N-(3,5-dimethylphenyl)-N-(4-pyren-2-ylphenyl)pyren-2-amine
CID 90168379
3-fluoroacenaphthylene
CID 14046850
4-methyloctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,22,24-pentadecaene
CID 101455015

Frequently Asked Questions

What is the IUPAC name of acenaphthylene;1,3,5-trimethylbenzene?
The IUPAC name of acenaphthylene;1,3,5-trimethylbenzene (CID 175249677) is acenaphthylene;1,3,5-trimethylbenzene.
What is the SMILES notation for acenaphthylene;1,3,5-trimethylbenzene?
The canonical SMILES for acenaphthylene;1,3,5-trimethylbenzene is C1=Cc2cccc3cccc1c23.Cc1cc(C)cc(C)c1.
What is the InChIKey of acenaphthylene;1,3,5-trimethylbenzene?
The InChIKey is HFBWYYHCZWSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C9H12/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11;1-7-4-8(2)6-9(3)5-7/h1-8H;4-6H,1-3H3.
What are the key properties of acenaphthylene;1,3,5-trimethylbenzene?
acenaphthylene;1,3,5-trimethylbenzene has a molecular weight of 272.39 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acenaphthylene;1,3,5-trimethylbenzene is sourced from PubChem (CID 175249677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).