2,7-dimethyl-10b,10c-dihydropyrene

C18H16 — CID 58880753

IUPAC2,7-dimethyl-10b,10c-dihydropyrene
SMILESCC1=CC2=CC=C3C=C(C)C=C4C=CC(=C1)C2C34
InChIInChI=1S/C18H16/c1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16/h3-10,17-18H,1-2H3
InChIKeyISZKGZCQEMNTMP-UHFFFAOYSA-N
MW232.33 g/mol
LogP4.43
Rot. Bonds

About 2,7-dimethyl-10b,10c-dihydropyrene

2,7-dimethyl-10b,10c-dihydropyrene (PubChem CID 58880753) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2,7-dimethyl-10b,10c-dihydropyrene.

Molecular Properties

Compound Name2,7-dimethyl-10b,10c-dihydropyrene
PubChem CID58880753
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name2,7-dimethyl-10b,10c-dihydropyrene
SMILESCC1=CC2=CC=C3C=C(C)C=C4C=CC(=C1)C2C34
InChIInChI=1S/C18H16/c1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16/h3-10,17-18H,1-2H3
InChIKeyISZKGZCQEMNTMP-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

10b,10c-dihydropyrene;ethane
CID 123567787
2-iodo-10b,10c-dihydropyrene
CID 138626052
2,6-dimethyl-4-phenyl-3aH-indene
CID 23399065
1,7-dimethyl-8aH-quinoline
CID 122521950
N,N-dimethylbicyclo[2.2.1]hepta-1,3,5-trien-7-amine;hydrate
CID 18000539
N-methyl-10b,10c-dihydropyren-1-amine
CID 170014525
6-methyl-8,8a-dihydroquinoline
CID 89337032
1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene
CID 123483925
3-methylcyclohexa-2,4-diene-1-carbonitrile
CID 89093757
9-[3-[7-(3-carbazol-9-yl-5-pentylphenyl)-10b,10c-dihydropyren-2-yl]-5-pentylphenyl]carbazole
CID 172537510
1,7-dimethyl-1,8a-dihydroisoquinoline
CID 130184066
1-fluoro-2,3,7-trimethyl-1,8a-dihydronaphthalene
CID 123938657

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-10b,10c-dihydropyrene?
The IUPAC name of 2,7-dimethyl-10b,10c-dihydropyrene (CID 58880753) is 2,7-dimethyl-10b,10c-dihydropyrene.
What is the SMILES notation for 2,7-dimethyl-10b,10c-dihydropyrene?
The canonical SMILES for 2,7-dimethyl-10b,10c-dihydropyrene is CC1=CC2=CC=C3C=C(C)C=C4C=CC(=C1)C2C34.
What is the InChIKey of 2,7-dimethyl-10b,10c-dihydropyrene?
The InChIKey is ISZKGZCQEMNTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16/h3-10,17-18H,1-2H3.
What are the key properties of 2,7-dimethyl-10b,10c-dihydropyrene?
2,7-dimethyl-10b,10c-dihydropyrene has a molecular weight of 232.33 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-10b,10c-dihydropyrene is sourced from PubChem (CID 58880753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).