3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene

C26H24 — CID 175278468

IUPAC3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene
SMILESCC1(C)Cc2c(ccc3c2ccc2ccccc23)CC1c1ccccc1
InChIInChI=1S/C26H24/c1-26(2)17-24-20(16-25(26)19-9-4-3-5-10-19)13-15-22-21-11-7-6-8-18(21)12-14-23(22)24/h3-15,25H,16-17H2,1-2H3
InChIKeyFHOVABZREMRBHC-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.90
Rot. Bonds1

About 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene

3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene (PubChem CID 175278468) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene.

Molecular Properties

Compound Name3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene
PubChem CID175278468
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene
SMILESCC1(C)Cc2c(ccc3c2ccc2ccccc23)CC1c1ccccc1
InChIInChI=1S/C26H24/c1-26(2)17-24-20(16-25(26)19-9-4-3-5-10-19)13-15-22-21-11-7-6-8-18(21)12-14-23(22)24/h3-15,25H,16-17H2,1-2H3
InChIKeyFHOVABZREMRBHC-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.90
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-[3-(3,3-dimethyl-2,4-dihydro-1H-chrysen-2-yl)phenyl]imidazolidin-2-one
CID 174670008
2-phenyl-1,2,3,4-tetrahydrochrysene
CID 174844260
3,3-dimethyl-2-(3-nitrophenyl)-2,4-dihydro-1H-chrysene;quinoline-6-carboxylic acid
CID 174681588
1-[3-(3,3-dimethyl-2,4-dihydro-1H-chrysen-2-yl)phenyl]-4-methylpiperazine;quinoline-6-carboxylic acid
CID 174670037
2,2-dimethyl-3,4-dihydro-1H-picene
CID 14298822
3,3-dimethyl-2,4-dihydro-1H-chrysene
CID 174587374
2-(3-cyclohexyl-5-fluorophenyl)-3,3-dimethyl-2,4-dihydro-1H-chrysene;quinoline-6-carboxylic acid
CID 174681650
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
furan;2-methyl-1,2,3,4-tetrahydrochrysene
CID 174285203
2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
CID 174535991
methane;1,2,3,4-tetrahydrochrysene
CID 174298676

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene?
The IUPAC name of 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene (CID 175278468) is 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene.
What is the SMILES notation for 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene?
The canonical SMILES for 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene is CC1(C)Cc2c(ccc3c2ccc2ccccc23)CC1c1ccccc1.
What is the InChIKey of 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene?
The InChIKey is FHOVABZREMRBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-26(2)17-24-20(16-25(26)19-9-4-3-5-10-19)13-15-22-21-11-7-6-8-18(21)12-14-23(22)24/h3-15,25H,16-17H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene?
3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene has a molecular weight of 336.48 g/mol, XLogP of 6.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene is sourced from PubChem (CID 175278468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).