1,2-dimethyltriphenylene;ethane

C24H28 — CID 145144770

IUPAC1,2-dimethyltriphenylene;ethane
SMILESCC.CC.Cc1ccc2c3ccccc3c3ccccc3c2c1C
InChIInChI=1S/C20H16.2C2H6/c1-13-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)14(13)2;2*1-2/h3-12H,1-2H3;2*1-2H3
InChIKeyIFEUGZMJTUJCQA-UHFFFAOYSA-N
MW316.49 g/mol
LogP7.82
Rot. Bonds

About 1,2-dimethyltriphenylene;ethane

1,2-dimethyltriphenylene;ethane (PubChem CID 145144770) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1,2-dimethyltriphenylene;ethane.

Molecular Properties

Compound Name1,2-dimethyltriphenylene;ethane
PubChem CID145144770
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1,2-dimethyltriphenylene;ethane
SMILESCC.CC.Cc1ccc2c3ccccc3c3ccccc3c2c1C
InChIInChI=1S/C20H16.2C2H6/c1-13-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)14(13)2;2*1-2/h3-12H,1-2H3;2*1-2H3
InChIKeyIFEUGZMJTUJCQA-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
9,10-difluoro-1,2,7,8-tetramethylphenanthrene
CID 132606777
5,6,9,10-tetramethylphenanthridin-5-ium
CID 157300513
ethane;1,2,5-trimethylnaphthalene
CID 142394206
1,2-dimethylnaphthalene;ethane
CID 90922397
2-methyl-1-phenyltriphenylene
CID 175828145
1-methyl-2-methylsulfanyltriphenylene
CID 150944687
5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene
CID 134842596
nonadecacyclo[38.18.2.02,55.05,54.06,11.012,53.015,52.016,49.019,48.020,25.026,47.029,46.030,43.033,42.034,39.041,58.044,57.045,50.051,56]hexaconta-1,3,5(54),6,8,10,12(53),13,15,17,19(48),20,22,24,26(47),27,29,31,33(42),34,36,38,40,43,45,49,51,55,57,59-triacontaene
CID 58800430
7,8-dimethylfluoranthene;8,9-dimethylfluoranthene;1,2-dimethyltriphenylene;2,3-dimethyltriphenylene
CID 159930088
1,3,4-trimethylphenanthrene
CID 53421592
1,2-dimethylnaphthalene;ethane;propane
CID 90958253

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyltriphenylene;ethane?
The IUPAC name of 1,2-dimethyltriphenylene;ethane (CID 145144770) is 1,2-dimethyltriphenylene;ethane.
What is the SMILES notation for 1,2-dimethyltriphenylene;ethane?
The canonical SMILES for 1,2-dimethyltriphenylene;ethane is CC.CC.Cc1ccc2c3ccccc3c3ccccc3c2c1C.
What is the InChIKey of 1,2-dimethyltriphenylene;ethane?
The InChIKey is IFEUGZMJTUJCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16.2C2H6/c1-13-11-12-19-17-9-4-3-7-15(17)16-8-5-6-10-18(16)20(19)14(13)2;2*1-2/h3-12H,1-2H3;2*1-2H3.
What are the key properties of 1,2-dimethyltriphenylene;ethane?
1,2-dimethyltriphenylene;ethane has a molecular weight of 316.49 g/mol, XLogP of 7.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyltriphenylene;ethane is sourced from PubChem (CID 145144770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).