2-(3,5-dimethylphenyl)-7-methyltriphenylene

C27H22 — CID 158973424

IUPAC2-(3,5-dimethylphenyl)-7-methyltriphenylene
SMILESCc1cc(C)cc(-c2ccc3c4ccc(C)cc4c4ccccc4c3c2)c1
InChIInChI=1S/C27H22/c1-17-8-10-24-25-11-9-20(21-13-18(2)12-19(3)14-21)16-27(25)23-7-5-4-6-22(23)26(24)15-17/h4-16H,1-3H3
InChIKeyABJAXOHVCPDEEH-UHFFFAOYSA-N
MW346.47 g/mol
LogP7.74
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-7-methyltriphenylene

2-(3,5-dimethylphenyl)-7-methyltriphenylene (PubChem CID 158973424) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-7-methyltriphenylene.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-7-methyltriphenylene
PubChem CID158973424
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name2-(3,5-dimethylphenyl)-7-methyltriphenylene
SMILESCc1cc(C)cc(-c2ccc3c4ccc(C)cc4c4ccccc4c3c2)c1
InChIInChI=1S/C27H22/c1-17-8-10-24-25-11-9-20(21-13-18(2)12-19(3)14-21)16-27(25)23-7-5-4-6-22(23)26(24)15-17/h4-16H,1-3H3
InChIKeyABJAXOHVCPDEEH-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.74
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

2,7-bis(3,5-dimethylphenyl)triphenylene
CID 58219988
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2-[4-[3-methyl-5-(4-triphenylen-2-ylphenyl)phenyl]phenyl]triphenylene
CID 59841979
2,6,11-tris(3,5-dimethylphenyl)triphenylene
CID 58219987
2,7-dimethyltriphenylene
CID 23261750
ethane;2-(3-methylphenyl)triphenylene
CID 90881937
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
ethane;2-methyltriphenylene
CID 91569125
2-[3-(3,5-dimethylphenyl)-5-triphenylen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 163432830
2-[3-(7-methyltriphenylen-2-yl)-5-pyridin-2-ylphenyl]pyridine
CID 145180167
5-(4-methylphenyl)rubicene
CID 71421562
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-7-methyltriphenylene?
The IUPAC name of 2-(3,5-dimethylphenyl)-7-methyltriphenylene (CID 158973424) is 2-(3,5-dimethylphenyl)-7-methyltriphenylene.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-7-methyltriphenylene?
The canonical SMILES for 2-(3,5-dimethylphenyl)-7-methyltriphenylene is Cc1cc(C)cc(-c2ccc3c4ccc(C)cc4c4ccccc4c3c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-7-methyltriphenylene?
The InChIKey is ABJAXOHVCPDEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22/c1-17-8-10-24-25-11-9-20(21-13-18(2)12-19(3)14-21)16-27(25)23-7-5-4-6-22(23)26(24)15-17/h4-16H,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-7-methyltriphenylene?
2-(3,5-dimethylphenyl)-7-methyltriphenylene has a molecular weight of 346.47 g/mol, XLogP of 7.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-7-methyltriphenylene is sourced from PubChem (CID 158973424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).