2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene

C26H24 — CID 174464566

IUPAC2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene
SMILESCc1ccc2c(ccc3c4c(ccc32)CC(C)CC4c2ccccc2)c1
InChIInChI=1S/C26H24/c1-17-8-11-22-20(14-17)9-13-24-23(22)12-10-21-15-18(2)16-25(26(21)24)19-6-4-3-5-7-19/h3-14,18,25H,15-16H2,1-2H3
InChIKeyZUQUWQLVJVRJDN-UHFFFAOYSA-N
MW336.48 g/mol
LogP7.02
Rot. Bonds1

About 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene

2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene (PubChem CID 174464566) has the molecular formula C26H24 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene
PubChem CID174464566
Molecular FormulaC26H24
Molecular Weight336.48 g/mol
Exact Mass336.19
IUPAC Name2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene
SMILESCc1ccc2c(ccc3c4c(ccc32)CC(C)CC4c2ccccc2)c1
InChIInChI=1S/C26H24/c1-17-8-11-22-20(14-17)9-13-24-23(22)12-10-21-15-18(2)16-25(26(21)24)19-6-4-3-5-7-19/h3-14,18,25H,15-16H2,1-2H3
InChIKeyZUQUWQLVJVRJDN-UHFFFAOYSA-N
XLogP7.02
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 ≤ 57.02
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

8-chloro-2-methyl-4-phenyl-1,2,3,4-tetrahydrochrysene
CID 174464561
1-[3-(2-fluoro-8-methyl-10-phenyl-7,8,9,10-tetrahydrochrysen-1-yl)isoquinolin-1-yl]-N-methylmethanamine
CID 174566658
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
2,7-dimethylphenanthrene;ethane
CID 91503011
ethane;3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479896
4-(3-methoxyphenyl)-1,2,3,4-tetrahydrochrysene
CID 174522262
2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;6-methyl-1,2,3,4-tetrahydronaphthalene
CID 161483265
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
3,3-dimethyl-2-phenyl-2,4-dihydro-1H-chrysene
CID 175278468
2-[2-bromo-4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174833805
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
1,6-dimethylphenanthrene;ethane
CID 144939314

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene (CID 174464566) is 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene is Cc1ccc2c(ccc3c4c(ccc32)CC(C)CC4c2ccccc2)c1.
What is the InChIKey of 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene?
The InChIKey is ZUQUWQLVJVRJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24/c1-17-8-11-22-20(14-17)9-13-24-23(22)12-10-21-15-18(2)16-25(26(21)24)19-6-4-3-5-7-19/h3-14,18,25H,15-16H2,1-2H3.
What are the key properties of 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene?
2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene has a molecular weight of 336.48 g/mol, XLogP of 7.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-4-phenyl-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174464566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).