3,5-dimethyl-9-phenylphenanthrene

C22H18 — CID 132535300

IUPAC3,5-dimethyl-9-phenylphenanthrene
SMILESCc1ccc2cc(-c3ccccc3)c3cccc(C)c3c2c1
InChIInChI=1S/C22H18/c1-15-11-12-18-14-20(17-8-4-3-5-9-17)19-10-6-7-16(2)22(19)21(18)13-15/h3-14H,1-2H3
InChIKeyUXULHYGIOIHTMF-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.28
Rot. Bonds1

About 3,5-dimethyl-9-phenylphenanthrene

3,5-dimethyl-9-phenylphenanthrene (PubChem CID 132535300) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3,5-dimethyl-9-phenylphenanthrene.

Molecular Properties

Compound Name3,5-dimethyl-9-phenylphenanthrene
PubChem CID132535300
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name3,5-dimethyl-9-phenylphenanthrene
SMILESCc1ccc2cc(-c3ccccc3)c3cccc(C)c3c2c1
InChIInChI=1S/C22H18/c1-15-11-12-18-14-20(17-8-4-3-5-9-17)19-10-6-7-16(2)22(19)21(18)13-15/h3-14H,1-2H3
InChIKeyUXULHYGIOIHTMF-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 56.28
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

9-(4-methoxyphenyl)-3,5-dimethylphenanthrene
CID 132819280
2,7-dimethyl-1,4-diphenylnaphthalene
CID 46919192
1,3,6,8-tetrakis(3-methylphenyl)pyrene;1,3,6,8-tetranaphthalen-2-ylpyrene;1,3,6,8-tetraphenylpyrene
CID 161370892
9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 158936046
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 59793052
1-methylphenanthrene;2-methylphenanthrene;3-methylphenanthrene;4-methylphenanthrene
CID 158709590
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
4,6-dimethyl-1-(3-phenylphenyl)naphthalene
CID 171720909
2-methyl-9,10-bis(3-phenylphenyl)anthracene;1-methyl-9,10-diphenylanthracene;2-methyl-9,10-diphenylanthracene;2,3,6,7-tetramethyl-9-(4-methylphenyl)-10-phenylanthracene
CID 162218687
2,9-dimethylpicene
CID 15509
1-methylbenzo[a]anthracene;5-methylchrysene;4-methylphenanthrene;1-methyl-2-phenylbenzene
CID 162099603

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-9-phenylphenanthrene?
The IUPAC name of 3,5-dimethyl-9-phenylphenanthrene (CID 132535300) is 3,5-dimethyl-9-phenylphenanthrene.
What is the SMILES notation for 3,5-dimethyl-9-phenylphenanthrene?
The canonical SMILES for 3,5-dimethyl-9-phenylphenanthrene is Cc1ccc2cc(-c3ccccc3)c3cccc(C)c3c2c1.
What is the InChIKey of 3,5-dimethyl-9-phenylphenanthrene?
The InChIKey is UXULHYGIOIHTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-15-11-12-18-14-20(17-8-4-3-5-9-17)19-10-6-7-16(2)22(19)21(18)13-15/h3-14H,1-2H3.
What are the key properties of 3,5-dimethyl-9-phenylphenanthrene?
3,5-dimethyl-9-phenylphenanthrene has a molecular weight of 282.39 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-9-phenylphenanthrene is sourced from PubChem (CID 132535300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).