1-(2,3-dimethylphenyl)phenanthrene

C22H18 — CID 175838627

IUPAC1-(2,3-dimethylphenyl)phenanthrene
SMILESCc1cccc(-c2cccc3c2ccc2ccccc23)c1C
InChIInChI=1S/C22H18/c1-15-7-5-10-18(16(15)2)20-11-6-12-21-19-9-4-3-8-17(19)13-14-22(20)21/h3-14H,1-2H3
InChIKeyUGBHHTPTZCPVSL-UHFFFAOYSA-N
MW282.39 g/mol
LogP6.28
Rot. Bonds1

About 1-(2,3-dimethylphenyl)phenanthrene

1-(2,3-dimethylphenyl)phenanthrene (PubChem CID 175838627) has the molecular formula C22H18 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)phenanthrene.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)phenanthrene
PubChem CID175838627
Molecular FormulaC22H18
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Name1-(2,3-dimethylphenyl)phenanthrene
SMILESCc1cccc(-c2cccc3c2ccc2ccccc23)c1C
InChIInChI=1S/C22H18/c1-15-7-5-10-18(16(15)2)20-11-6-12-21-19-9-4-3-8-17(19)13-14-22(20)21/h3-14H,1-2H3
InChIKeyUGBHHTPTZCPVSL-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

methane;1-methylphenanthrene
CID 175001905
1-(2-methylphenyl)picene
CID 173138076
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
1,3-dimethyl-2-naphthalen-1-ylphenanthrene
CID 15440758
chrysene;iron
CID 157379031
7-methylpentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 158908888
3-methyl-1,6-dinaphthalen-1-ylpyrene
CID 142716789
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
CID 175282704
CID 175282704

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)phenanthrene?
The IUPAC name of 1-(2,3-dimethylphenyl)phenanthrene (CID 175838627) is 1-(2,3-dimethylphenyl)phenanthrene.
What is the SMILES notation for 1-(2,3-dimethylphenyl)phenanthrene?
The canonical SMILES for 1-(2,3-dimethylphenyl)phenanthrene is Cc1cccc(-c2cccc3c2ccc2ccccc23)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)phenanthrene?
The InChIKey is UGBHHTPTZCPVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18/c1-15-7-5-10-18(16(15)2)20-11-6-12-21-19-9-4-3-8-17(19)13-14-22(20)21/h3-14H,1-2H3.
What are the key properties of 1-(2,3-dimethylphenyl)phenanthrene?
1-(2,3-dimethylphenyl)phenanthrene 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 1-(2,3-dimethylphenyl)phenanthrene is sourced from PubChem (CID 175838627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).