2,9-dimethylpicene

C24H18 — CID 15509

IUPAC2,9-dimethylpicene
SMILESCc1ccc2ccc3c(ccc4c5cccc(C)c5ccc43)c2c1
InChIInChI=1S/C24H18/c1-15-6-7-17-8-9-20-22-11-10-18-16(2)4-3-5-19(18)21(22)12-13-23(20)24(17)14-15/h3-14H,1-2H3
InChIKeyNCVWVTLOKLZLJY-UHFFFAOYSA-N
MW306.41 g/mol
LogP6.92
Rot. Bonds

About 2,9-dimethylpicene

2,9-dimethylpicene (PubChem CID 15509) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2,9-dimethylpicene.

Molecular Properties

Compound Name2,9-dimethylpicene
PubChem CID15509
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name2,9-dimethylpicene
SMILESCc1ccc2ccc3c(ccc4c5cccc(C)c5ccc43)c2c1
InChIInChI=1S/C24H18/c1-15-6-7-17-8-9-20-22-11-10-18-16(2)4-3-5-19(18)21(22)12-13-23(20)24(17)14-15/h3-14H,1-2H3
InChIKeyNCVWVTLOKLZLJY-UHFFFAOYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.92
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

1,6-dimethylphenanthrene;ethane
CID 144939314
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
CID 158709590
methane;1-methylphenanthrene
CID 175001905
1,3-dimethylphenanthrene;1,5-dimethylphenanthrene;1,7-dimethylphenanthrene
CID 160604246
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1,7-dimethylnaphthalene;1,3-xylene;1,4-xylene
CID 162002559
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
2,7-dimethyltriphenylene
CID 23261750
1,5-dimethylnaphthalene
CID 162159355
5-methylhexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1(18),2(11),3(8),4,6,9,12,14,16,19,21,23,25-tridecaene
CID 11057003
ethane;1-methylchrysene;6-methylchrysene;3-methylfluoranthene;1-methyltriphenylene;2-methyltriphenylene
CID 158817490
3,9-dimethylphenanthrene;ethane;2-methylanthracene;2-methylphenanthrene;9-methylphenanthrene;1-methylpyrene;4-methylpyrene
CID 158321932

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethylpicene?
The IUPAC name of 2,9-dimethylpicene (CID 15509) is 2,9-dimethylpicene.
What is the SMILES notation for 2,9-dimethylpicene?
The canonical SMILES for 2,9-dimethylpicene is Cc1ccc2ccc3c(ccc4c5cccc(C)c5ccc43)c2c1.
What is the InChIKey of 2,9-dimethylpicene?
The InChIKey is NCVWVTLOKLZLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-15-6-7-17-8-9-20-22-11-10-18-16(2)4-3-5-19(18)21(22)12-13-23(20)24(17)14-15/h3-14H,1-2H3.
What are the key properties of 2,9-dimethylpicene?
2,9-dimethylpicene has a molecular weight of 306.41 g/mol, XLogP of 6.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethylpicene is sourced from PubChem (CID 15509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).