3,4,9-trimethylperylene

C23H18 — CID 59598979

IUPAC3,4,9-trimethylperylene
SMILESCc1ccc2c3ccc(C)c4c(C)ccc(c5cccc1c52)c43
InChIInChI=1S/C23H18/c1-13-7-10-18-20-12-9-15(3)21-14(2)8-11-19(23(20)21)17-6-4-5-16(13)22(17)18/h4-12H,1-3H3
InChIKeyACLITYCVILYODG-UHFFFAOYSA-N
MW294.40 g/mol
LogP6.66
Rot. Bonds

About 3,4,9-trimethylperylene

3,4,9-trimethylperylene (PubChem CID 59598979) has the molecular formula C23H18 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3,4,9-trimethylperylene.

Molecular Properties

Compound Name3,4,9-trimethylperylene
PubChem CID59598979
Molecular FormulaC23H18
Molecular Weight294.40 g/mol
Exact Mass294.14
IUPAC Name3,4,9-trimethylperylene
SMILESCc1ccc2c3ccc(C)c4c(C)ccc(c5cccc1c52)c43
InChIInChI=1S/C23H18/c1-13-7-10-18-20-12-9-15(3)21-14(2)8-11-19(23(20)21)17-6-4-5-16(13)22(17)18/h4-12H,1-3H3
InChIKeyACLITYCVILYODG-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.40
LogP ≤ 56.66
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'}

Analyze 3,4,9-trimethylperylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dimethylperylene
CID 20583839
1,4,5,8-tetramethylphenanthrene
CID 14619660
6-methyl-21-phenylnonacyclo[15.13.1.12,12.13,7.118,22.027,31.011,34.016,33.026,32]tetratriaconta-1,3(34),4,6,8,10,12(33),13,15,17(31),18,20,22,24,26(32),27,29-heptadecaene
CID 147672921
9,10-dimethylperylene-3-carbonyl chloride
CID 59847145
9,20-dichloro-6,23-dimethylhexacyclo[16.8.0.02,11.05,10.012,17.019,24]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 101092978
CID 155586253
CID 155586253
2,9,10-trimethylperylene
CID 58193405
1,5,12-trimethyltriphenylene
CID 102264978
2-methylperylene;3-methylperylene
CID 157412879
1,4-dimethyl-5-(trideuteriomethyl)naphthalene
CID 101091330
1,5-dimethylnaphthalene
CID 162159355
1,9-dimethylpyren-4-ol
CID 54708781

Frequently Asked Questions

What is the IUPAC name of 3,4,9-trimethylperylene?
The IUPAC name of 3,4,9-trimethylperylene (CID 59598979) is 3,4,9-trimethylperylene.
What is the SMILES notation for 3,4,9-trimethylperylene?
The canonical SMILES for 3,4,9-trimethylperylene is Cc1ccc2c3ccc(C)c4c(C)ccc(c5cccc1c52)c43.
What is the InChIKey of 3,4,9-trimethylperylene?
The InChIKey is ACLITYCVILYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18/c1-13-7-10-18-20-12-9-15(3)21-14(2)8-11-19(23(20)21)17-6-4-5-16(13)22(17)18/h4-12H,1-3H3.
What are the key properties of 3,4,9-trimethylperylene?
3,4,9-trimethylperylene has a molecular weight of 294.40 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9-trimethylperylene is sourced from PubChem (CID 59598979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).