2,7-bis(3,5-dimethylphenyl)triphenylene

C34H28 — CID 58219988

IUPAC2,7-bis(3,5-dimethylphenyl)triphenylene
SMILESCc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4c4ccccc4c3c2)c1
InChIInChI=1S/C34H28/c1-21-13-22(2)16-27(15-21)25-9-11-31-32-12-10-26(28-17-23(3)14-24(4)18-28)20-34(32)30-8-6-5-7-29(30)33(31)19-25/h5-20H,1-4H3
InChIKeyWXULJTGDFKHTNI-UHFFFAOYSA-N
MW436.60 g/mol
LogP9.71
Rot. Bonds2

About 2,7-bis(3,5-dimethylphenyl)triphenylene

2,7-bis(3,5-dimethylphenyl)triphenylene (PubChem CID 58219988) has the molecular formula C34H28 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2,7-bis(3,5-dimethylphenyl)triphenylene.

Molecular Properties

Compound Name2,7-bis(3,5-dimethylphenyl)triphenylene
PubChem CID58219988
Molecular FormulaC34H28
Molecular Weight436.60 g/mol
Exact Mass436.22
IUPAC Name2,7-bis(3,5-dimethylphenyl)triphenylene
SMILESCc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4c4ccccc4c3c2)c1
InChIInChI=1S/C34H28/c1-21-13-22(2)16-27(15-21)25-9-11-31-32-12-10-26(28-17-23(3)14-24(4)18-28)20-34(32)30-8-6-5-7-29(30)33(31)19-25/h5-20H,1-4H3
InChIKeyWXULJTGDFKHTNI-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 59.71
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-(3,5-dimethylphenyl)-7-methyltriphenylene
CID 158973424
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-[3-(3,5-dimethylphenyl)-5-triphenylen-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 163432830
ethane;2-(3-methylphenyl)triphenylene
CID 90881937
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
5-(4-methylphenyl)rubicene
CID 71421562
3,6-bis(3,5-dimethylphenyl)phenanthrene
CID 91501927
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 158945524

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3,5-dimethylphenyl)triphenylene?
The IUPAC name of 2,7-bis(3,5-dimethylphenyl)triphenylene (CID 58219988) is 2,7-bis(3,5-dimethylphenyl)triphenylene.
What is the SMILES notation for 2,7-bis(3,5-dimethylphenyl)triphenylene?
The canonical SMILES for 2,7-bis(3,5-dimethylphenyl)triphenylene is Cc1cc(C)cc(-c2ccc3c4ccc(-c5cc(C)cc(C)c5)cc4c4ccccc4c3c2)c1.
What is the InChIKey of 2,7-bis(3,5-dimethylphenyl)triphenylene?
The InChIKey is WXULJTGDFKHTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28/c1-21-13-22(2)16-27(15-21)25-9-11-31-32-12-10-26(28-17-23(3)14-24(4)18-28)20-34(32)30-8-6-5-7-29(30)33(31)19-25/h5-20H,1-4H3.
What are the key properties of 2,7-bis(3,5-dimethylphenyl)triphenylene?
2,7-bis(3,5-dimethylphenyl)triphenylene has a molecular weight of 436.60 g/mol, XLogP of 9.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3,5-dimethylphenyl)triphenylene is sourced from PubChem (CID 58219988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).