1,2,3,4,5,6,8,9-octamethylpyrene

C24H26 — CID 59510094

IUPAC1,2,3,4,5,6,8,9-octamethylpyrene
SMILESCc1c(C)c2cc(C)c3c(C)cc(C)c4c(C)c(C)c(c1C)c2c34
InChIInChI=1S/C24H26/c1-11-9-12(2)21-17(7)18(8)22-16(6)14(4)15(5)19-10-13(3)20(11)24(21)23(19)22/h9-10H,1-8H3
InChIKeyQHURIRPZBYTYEZ-UHFFFAOYSA-N
MW314.47 g/mol
LogP7.05
Rot. Bonds

About 1,2,3,4,5,6,8,9-octamethylpyrene

1,2,3,4,5,6,8,9-octamethylpyrene (PubChem CID 59510094) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9-octamethylpyrene.

Molecular Properties

Compound Name1,2,3,4,5,6,8,9-octamethylpyrene
PubChem CID59510094
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name1,2,3,4,5,6,8,9-octamethylpyrene
SMILESCc1c(C)c2cc(C)c3c(C)cc(C)c4c(C)c(C)c(c1C)c2c34
InChIInChI=1S/C24H26/c1-11-9-12(2)21-17(7)18(8)22-16(6)14(4)15(5)19-10-13(3)20(11)24(21)23(19)22/h9-10H,1-8H3
InChIKeyQHURIRPZBYTYEZ-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 57.05
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

1,2,3,4,5,6,7,9,10-nonamethylpyrene
CID 59510092
1,2,3,4,5,6,8-heptamethylpyrene
CID 59510141
1,3,4,6,7,9,10,12-octamethylperylene
CID 20723698
1,4,5,6,10-pentamethylpyrene
CID 59510037
1,2,5,6,9,10-hexamethylpyrene
CID 59510050
1,2,3,4,5,6-hexamethyl-7-propylnaphthalene
CID 59872941
15,21,32,34,36,42-hexamethyltridecacyclo[27.11.1.116,20.02,7.03,28.04,25.05,18.06,11.08,39.012,17.019,24.033,41.035,40]dotetraconta-1(41),2,4,6(11),7,9,12(17),13,15,18,20(42),21,23,25,27,29,31,33,35,37,39-henicosaene
CID 132548286
3,4,5,6,7,8-hexamethylnaphthalen-1-ol
CID 20665127
1,2,4,5,6,8-hexamethyl-3-(3-methylpentan-3-yl)naphthalene
CID 160825840
2,3,4,5,7-pentamethylnaphthalene-1-sulfinic acid
CID 57481919
2,7-dichloro-4,5,9,10-tetramethylpyrene
CID 89109864
oxophosphane;2,3,4-trimethylbicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
CID 174600753

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9-octamethylpyrene?
The IUPAC name of 1,2,3,4,5,6,8,9-octamethylpyrene (CID 59510094) is 1,2,3,4,5,6,8,9-octamethylpyrene.
What is the SMILES notation for 1,2,3,4,5,6,8,9-octamethylpyrene?
The canonical SMILES for 1,2,3,4,5,6,8,9-octamethylpyrene is Cc1c(C)c2cc(C)c3c(C)cc(C)c4c(C)c(C)c(c1C)c2c34.
What is the InChIKey of 1,2,3,4,5,6,8,9-octamethylpyrene?
The InChIKey is QHURIRPZBYTYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-11-9-12(2)21-17(7)18(8)22-16(6)14(4)15(5)19-10-13(3)20(11)24(21)23(19)22/h9-10H,1-8H3.
What are the key properties of 1,2,3,4,5,6,8,9-octamethylpyrene?
1,2,3,4,5,6,8,9-octamethylpyrene has a molecular weight of 314.47 g/mol, XLogP of 7.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8,9-octamethylpyrene is sourced from PubChem (CID 59510094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).