1,1,2,3,4-pentamethylphenalene

C18H20 — CID 173210949

IUPAC1,1,2,3,4-pentamethylphenalene
SMILESCC1=C(C)C(C)(C)c2cccc3ccc(C)c1c23
InChIInChI=1S/C18H20/c1-11-9-10-14-7-6-8-15-17(14)16(11)12(2)13(3)18(15,4)5/h6-10H,1-5H3
InChIKeyZDQLINAVNIGGIM-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.23
Rot. Bonds

About 1,1,2,3,4-pentamethylphenalene

1,1,2,3,4-pentamethylphenalene (PubChem CID 173210949) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,1,2,3,4-pentamethylphenalene.

Molecular Properties

Compound Name1,1,2,3,4-pentamethylphenalene
PubChem CID173210949
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1,1,2,3,4-pentamethylphenalene
SMILESCC1=C(C)C(C)(C)c2cccc3ccc(C)c1c23
InChIInChI=1S/C18H20/c1-11-9-10-14-7-6-8-15-17(14)16(11)12(2)13(3)18(15,4)5/h6-10H,1-5H3
InChIKeyZDQLINAVNIGGIM-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,3,3,4-pentamethyl-2H-phenalene
CID 177264595
1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline
CID 177264720
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796
ethane;4,9,9-trimethylfluorene
CID 123917181
ethane;1,1,2,3-tetramethylindene
CID 90797870
8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene
CID 167232523
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
4,5-dimethylphenanthrene;ethane
CID 143983787
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674
1,8-dibromo-2-methylnaphthalene
CID 54423684
1,1,3,3,6-pentamethylphenalen-2-one
CID 177264548
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4-pentamethylphenalene?
The IUPAC name of 1,1,2,3,4-pentamethylphenalene (CID 173210949) is 1,1,2,3,4-pentamethylphenalene.
What is the SMILES notation for 1,1,2,3,4-pentamethylphenalene?
The canonical SMILES for 1,1,2,3,4-pentamethylphenalene is CC1=C(C)C(C)(C)c2cccc3ccc(C)c1c23.
What is the InChIKey of 1,1,2,3,4-pentamethylphenalene?
The InChIKey is ZDQLINAVNIGGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-11-9-10-14-7-6-8-15-17(14)16(11)12(2)13(3)18(15,4)5/h6-10H,1-5H3.
What are the key properties of 1,1,2,3,4-pentamethylphenalene?
1,1,2,3,4-pentamethylphenalene has a molecular weight of 236.36 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4-pentamethylphenalene is sourced from PubChem (CID 173210949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).