1,1,3,3,4-pentamethyl-2H-phenalene

C18H22 — CID 177264595

IUPAC1,1,3,3,4-pentamethyl-2H-phenalene
SMILESCc1ccc2cccc3c2c1C(C)(C)CC3(C)C
InChIInChI=1S/C18H22/c1-12-9-10-13-7-6-8-14-15(13)16(12)18(4,5)11-17(14,2)3/h6-10H,11H2,1-5H3
InChIKeyJCQMHZZGANOQTD-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.11
Rot. Bonds

About 1,1,3,3,4-pentamethyl-2H-phenalene

1,1,3,3,4-pentamethyl-2H-phenalene (PubChem CID 177264595) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1,1,3,3,4-pentamethyl-2H-phenalene.

Molecular Properties

Compound Name1,1,3,3,4-pentamethyl-2H-phenalene
PubChem CID177264595
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1,1,3,3,4-pentamethyl-2H-phenalene
SMILESCc1ccc2cccc3c2c1C(C)(C)CC3(C)C
InChIInChI=1S/C18H22/c1-12-9-10-13-7-6-8-14-15(13)16(12)18(4,5)11-17(14,2)3/h6-10H,11H2,1-5H3
InChIKeyJCQMHZZGANOQTD-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 177264720
1,1,1',1',4,4'-hexamethyl-3,3'-spirobi[2H-indene]
CID 157166013
1,1,2,3,4-pentamethylphenalene
CID 173210949
1,1-difluoro-3,3,4-trimethyl-2H-indene
CID 170185955
3-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,6-pentamethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 177264764
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
1,3,3-trimethyl-2H-inden-1-ol
CID 121006931
(Z)-but-2-ene;2,2-dimethyl-1H-acenaphthylene;ethane;ethene;methane
CID 144920508
1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
CID 177075093

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4-pentamethyl-2H-phenalene?
The IUPAC name of 1,1,3,3,4-pentamethyl-2H-phenalene (CID 177264595) is 1,1,3,3,4-pentamethyl-2H-phenalene.
What is the SMILES notation for 1,1,3,3,4-pentamethyl-2H-phenalene?
The canonical SMILES for 1,1,3,3,4-pentamethyl-2H-phenalene is Cc1ccc2cccc3c2c1C(C)(C)CC3(C)C.
What is the InChIKey of 1,1,3,3,4-pentamethyl-2H-phenalene?
The InChIKey is JCQMHZZGANOQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-12-9-10-13-7-6-8-14-15(13)16(12)18(4,5)11-17(14,2)3/h6-10H,11H2,1-5H3.
What are the key properties of 1,1,3,3,4-pentamethyl-2H-phenalene?
1,1,3,3,4-pentamethyl-2H-phenalene has a molecular weight of 238.37 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4-pentamethyl-2H-phenalene is sourced from PubChem (CID 177264595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).