4,10-dimethylpyrene

C18H14 — CID 91667650

IUPAC4,10-dimethylpyrene
SMILESCc1cc2cccc3cc(C)c4cccc1c4c23
InChIInChI=1S/C18H14/c1-11-9-13-5-3-6-14-10-12(2)16-8-4-7-15(11)18(16)17(13)14/h3-10H,1-2H3
InChIKeyUWIWZSLEMPLXBZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP5.20
Rot. Bonds

About 4,10-dimethylpyrene

4,10-dimethylpyrene (PubChem CID 91667650) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4,10-dimethylpyrene.

Molecular Properties

Compound Name4,10-dimethylpyrene
PubChem CID91667650
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name4,10-dimethylpyrene
SMILESCc1cc2cccc3cc(C)c4cccc1c4c23
InChIInChI=1S/C18H14/c1-11-9-13-5-3-6-14-10-12(2)16-8-4-7-15(11)18(16)17(13)14/h3-10H,1-2H3
InChIKeyUWIWZSLEMPLXBZ-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.31
LogP ≤ 55.20
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

4,21-difluoro-9-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 23236126
5-methylpyren-1-amine
CID 23131220
10-methylpentacyclo[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 24939091
1,9-dimethylpyren-4-ol
CID 54708781
1,2-dimethylpyrene;ethane
CID 143986089
4,10-ditert-butylpyrene
CID 140674457
30-methylundecacyclo[36.3.1.02,27.04,25.06,23.07,12.013,22.015,20.028,41.031,40.034,39]dotetraconta-1(42),2,4,6(23),7,9,11,13,15,17,19,21,24,26,28(41),29,31(40),32,34(39),35,37-henicosaene
CID 123954311
2,9,10-trimethylperylene
CID 58193405
7-tert-butyl-1,3-dimethylpyrene
CID 10446723
4-methyloctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,22,24-pentadecaene
CID 101455015
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethylpyrene?
The IUPAC name of 4,10-dimethylpyrene (CID 91667650) is 4,10-dimethylpyrene.
What is the SMILES notation for 4,10-dimethylpyrene?
The canonical SMILES for 4,10-dimethylpyrene is Cc1cc2cccc3cc(C)c4cccc1c4c23.
What is the InChIKey of 4,10-dimethylpyrene?
The InChIKey is UWIWZSLEMPLXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-11-9-13-5-3-6-14-10-12(2)16-8-4-7-15(11)18(16)17(13)14/h3-10H,1-2H3.
What are the key properties of 4,10-dimethylpyrene?
4,10-dimethylpyrene has a molecular weight of 230.31 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethylpyrene is sourced from PubChem (CID 91667650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).