1,2,3,4,5,6,7,9,10-nonamethylpyrene

C25H28 — CID 59510092

IUPAC1,2,3,4,5,6,7,9,10-nonamethylpyrene
SMILESCc1cc2c(C)c(C)c3c(C)c(C)c(C)c4c(C)c(C)c(c1C)c2c34
InChIInChI=1S/C25H28/c1-11-10-20-14(4)17(7)22-15(5)13(3)16(6)23-19(9)18(8)21(12(11)2)24(20)25(22)23/h10H,1-9H3
InChIKeyFEJQHCZTXGJDGZ-UHFFFAOYSA-N
MW328.50 g/mol
LogP7.36
Rot. Bonds

About 1,2,3,4,5,6,7,9,10-nonamethylpyrene

1,2,3,4,5,6,7,9,10-nonamethylpyrene (PubChem CID 59510092) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,9,10-nonamethylpyrene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,9,10-nonamethylpyrene
PubChem CID59510092
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name1,2,3,4,5,6,7,9,10-nonamethylpyrene
SMILESCc1cc2c(C)c(C)c3c(C)c(C)c(C)c4c(C)c(C)c(c1C)c2c34
InChIInChI=1S/C25H28/c1-11-10-20-14(4)17(7)22-15(5)13(3)16(6)23-19(9)18(8)21(12(11)2)24(20)25(22)23/h10H,1-9H3
InChIKeyFEJQHCZTXGJDGZ-UHFFFAOYSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 57.36
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

1,2,3,4,5,6,8,9-octamethylpyrene
CID 59510094
1,2,3,4,5,6,8-heptamethylpyrene
CID 59510141
3,4,5,6,7,8-hexamethylnaphthalen-1-ol
CID 20665127
1,2,5,6,9,10-hexamethylpyrene
CID 59510050
1,8-difluoro-2,3,4,5,6-pentamethylnaphthalene
CID 143700727
oxophosphane;2,3,4-trimethylbicyclo[4.1.0]hepta-1(6),2,4-trien-7-one
CID 174600753
1,2,3,4,5,6-hexamethyl-7-propylnaphthalene
CID 59872941
2,7-dichloro-4,5,9,10-tetramethylpyrene
CID 89109864
tris(2,3,4,5-tetramethylphenyl) phosphite
CID 153324599
1,2,4,6,8-pentamethylnaphthalene
CID 59866689
1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
CID 23533123
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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,9,10-nonamethylpyrene?
The IUPAC name of 1,2,3,4,5,6,7,9,10-nonamethylpyrene (CID 59510092) is 1,2,3,4,5,6,7,9,10-nonamethylpyrene.
What is the SMILES notation for 1,2,3,4,5,6,7,9,10-nonamethylpyrene?
The canonical SMILES for 1,2,3,4,5,6,7,9,10-nonamethylpyrene is Cc1cc2c(C)c(C)c3c(C)c(C)c(C)c4c(C)c(C)c(c1C)c2c34.
What is the InChIKey of 1,2,3,4,5,6,7,9,10-nonamethylpyrene?
The InChIKey is FEJQHCZTXGJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-11-10-20-14(4)17(7)22-15(5)13(3)16(6)23-19(9)18(8)21(12(11)2)24(20)25(22)23/h10H,1-9H3.
What are the key properties of 1,2,3,4,5,6,7,9,10-nonamethylpyrene?
1,2,3,4,5,6,7,9,10-nonamethylpyrene has a molecular weight of 328.50 g/mol, XLogP of 7.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,9,10-nonamethylpyrene is sourced from PubChem (CID 59510092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).