2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene

C38H28 — CID 144803354

IUPAC2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)ccc1C
InChIInChI=1S/C38H28/c1-25-10-3-4-13-31(25)37-23-29(19-18-26(37)2)27-11-9-12-28(22-27)30-20-21-36-34-16-6-5-14-32(34)33-15-7-8-17-35(33)38(36)24-30/h3-24H,1-2H3
InChIKeySOCDCGQMQBPTOM-UHFFFAOYSA-N
MW484.64 g/mol
LogP10.76
Rot. Bonds3

About 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene

2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene (PubChem CID 144803354) has the molecular formula C38H28 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene.

Molecular Properties

Compound Name2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene
PubChem CID144803354
Molecular FormulaC38H28
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC Name2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene
SMILESCc1ccccc1-c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)ccc1C
InChIInChI=1S/C38H28/c1-25-10-3-4-13-31(25)37-23-29(19-18-26(37)2)27-11-9-12-28(22-27)30-20-21-36-34-16-6-5-14-32(34)33-15-7-8-17-35(33)38(36)24-30/h3-24H,1-2H3
InChIKeySOCDCGQMQBPTOM-UHFFFAOYSA-N
XLogP10.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 510.76
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

1-methyl-2-(2-methylphenyl)-4-(3-phenylphenyl)benzene
CID 143578929
9-[4-methyl-3-(2-methylphenyl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole;propane
CID 144907309
2-(2-methylphenyl)-N-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]aniline
CID 90454881
2,11-bis(4-methylphenyl)-6-phenyltriphenylene;2,6-bis[3-(3-phenylphenyl)phenyl]triphenylene;2,7-bis[2-(2-phenylphenyl)phenyl]triphenylene;2,11-bis[2-(3-phenylphenyl)phenyl]triphenylene;2,3,6,11-tetrakis(2-methylphenyl)-7,10-bis(2-methyl-4-phenylphenyl)triphenylene;2,6,10-tris(3-phenylphenyl)triphenylene
CID 160949121
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
CID 157108614
2-[2-methyl-4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]triphenylene
CID 123442810
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2-[4-methyl-3-(2-methylphenyl)phenyl]dibenzothiophene;2-methyltriphenylene;propane
CID 144803406
1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
6-methyl-3-[4-methyl-3-(2-methylphenyl)phenyl]phenanthridine;toluene
CID 145078943
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene?
The IUPAC name of 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene (CID 144803354) is 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene.
What is the SMILES notation for 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene?
The canonical SMILES for 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene is Cc1ccccc1-c1cc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)ccc1C.
What is the InChIKey of 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene?
The InChIKey is SOCDCGQMQBPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28/c1-25-10-3-4-13-31(25)37-23-29(19-18-26(37)2)27-11-9-12-28(22-27)30-20-21-36-34-16-6-5-14-32(34)33-15-7-8-17-35(33)38(36)24-30/h3-24H,1-2H3.
What are the key properties of 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene?
2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene has a molecular weight of 484.64 g/mol, XLogP of 10.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene is sourced from PubChem (CID 144803354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).