2,2-dimethyl-3,4-dihydro-1H-picene

C24H22 — CID 14298822

IUPAC2,2-dimethyl-3,4-dihydro-1H-picene
SMILESCC1(C)CCc2ccc3c(ccc4c5ccccc5ccc34)c2C1
InChIInChI=1S/C24H22/c1-24(2)14-13-17-8-10-21-20-9-7-16-5-3-4-6-18(16)19(20)11-12-22(21)23(17)15-24/h3-12H,13-15H2,1-2H3
InChIKeyUARYAHWSIVCICG-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.66
Rot. Bonds

About 2,2-dimethyl-3,4-dihydro-1H-picene

2,2-dimethyl-3,4-dihydro-1H-picene (PubChem CID 14298822) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydro-1H-picene.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydro-1H-picene
PubChem CID14298822
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name2,2-dimethyl-3,4-dihydro-1H-picene
SMILESCC1(C)CCc2ccc3c(ccc4c5ccccc5ccc34)c2C1
InChIInChI=1S/C24H22/c1-24(2)14-13-17-8-10-21-20-9-7-16-5-3-4-6-18(16)19(20)11-12-22(21)23(17)15-24/h3-12H,13-15H2,1-2H3
InChIKeyUARYAHWSIVCICG-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.66
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

3,3-dimethyl-2,4-dihydro-1H-chrysene
CID 174587374
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174256276
1,2-dimethylnaphthalene;1,2,3,4-tetrahydrochrysene
CID 175241549
3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene
CID 175278468
1-methyl-3,4-dihydro-2H-chrysen-1-ol
CID 174353306
phenol;1,2,3,4-tetrahydrochrysene
CID 174851188
piperazine;1,2,3,4-tetrahydrochrysene;hydrobromide
CID 174879452

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydro-1H-picene?
The IUPAC name of 2,2-dimethyl-3,4-dihydro-1H-picene (CID 14298822) is 2,2-dimethyl-3,4-dihydro-1H-picene.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydro-1H-picene?
The canonical SMILES for 2,2-dimethyl-3,4-dihydro-1H-picene is CC1(C)CCc2ccc3c(ccc4c5ccccc5ccc34)c2C1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydro-1H-picene?
The InChIKey is UARYAHWSIVCICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-24(2)14-13-17-8-10-21-20-9-7-16-5-3-4-6-18(16)19(20)11-12-22(21)23(17)15-24/h3-12H,13-15H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydro-1H-picene?
2,2-dimethyl-3,4-dihydro-1H-picene has a molecular weight of 310.44 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydro-1H-picene is sourced from PubChem (CID 14298822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).