1-(2,5-dimethylphenyl)perylene

C28H20 — CID 173065408

IUPAC1-(2,5-dimethylphenyl)perylene
SMILESCc1ccc(C)c(-c2ccc3cccc4c5cccc6cccc(c2c34)c65)c1
InChIInChI=1S/C28H20/c1-17-12-13-18(2)25(16-17)23-15-14-20-8-4-10-22-21-9-3-6-19-7-5-11-24(26(19)21)28(23)27(20)22/h3-16H,1-2H3
InChIKeyBRXOFHZQVVEYHF-UHFFFAOYSA-N
MW356.47 g/mol
LogP8.02
Rot. Bonds1

About 1-(2,5-dimethylphenyl)perylene

1-(2,5-dimethylphenyl)perylene (PubChem CID 173065408) has the molecular formula C28H20 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)perylene.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)perylene
PubChem CID173065408
Molecular FormulaC28H20
Molecular Weight356.47 g/mol
Exact Mass356.16
IUPAC Name1-(2,5-dimethylphenyl)perylene
SMILESCc1ccc(C)c(-c2ccc3cccc4c5cccc6cccc(c2c34)c65)c1
InChIInChI=1S/C28H20/c1-17-12-13-18(2)25(16-17)23-15-14-20-8-4-10-22-21-9-3-6-19-7-5-11-24(26(19)21)28(23)27(20)22/h3-16H,1-2H3
InChIKeyBRXOFHZQVVEYHF-UHFFFAOYSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)perylene
CID 20517158
19-(2,5-dimethylphenyl)-3-(2-methylphenyl)-31-(2,3,4,5,6-pentamethylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29(34),30,32,36,39(43),40-tricosaene
CID 140785315
2-(4-methylphenyl)hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 58734352
pyrene;1,3-xylene
CID 174892551
1-(2,5-dimethyl-4-pyren-1-ylphenyl)pyrene;phosphane
CID 160688990
3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene
CID 140603460
4,5-dimethyloctacyclo[13.12.2.116,20.02,7.08,28.09,14.025,29.024,30]triaconta-1(27),2(7),3,5,8(28),9,11,13,15(29),16,18,20(30),21,23,25-pentadecaene
CID 163413435
3,4-dimethylperylene
CID 20583839
4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene
CID 154735160
ethane;3-(4-methylphenyl)perylene
CID 91033625
1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
CID 143438669
1-[(3-methylphenyl)methyl]perylene
CID 151879592

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)perylene?
The IUPAC name of 1-(2,5-dimethylphenyl)perylene (CID 173065408) is 1-(2,5-dimethylphenyl)perylene.
What is the SMILES notation for 1-(2,5-dimethylphenyl)perylene?
The canonical SMILES for 1-(2,5-dimethylphenyl)perylene is Cc1ccc(C)c(-c2ccc3cccc4c5cccc6cccc(c2c34)c65)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)perylene?
The InChIKey is BRXOFHZQVVEYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20/c1-17-12-13-18(2)25(16-17)23-15-14-20-8-4-10-22-21-9-3-6-19-7-5-11-24(26(19)21)28(23)27(20)22/h3-16H,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)perylene?
1-(2,5-dimethylphenyl)perylene has a molecular weight of 356.47 g/mol, XLogP of 8.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)perylene is sourced from PubChem (CID 173065408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).