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

C33H26S — CID 144639778

IUPAC4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene
SMILESCc1cccc(-c2ccc(-c3ccccc3Cc3cccc4c3sc3ccccc34)c(C)c2)c1
InChIInChI=1S/C33H26S/c1-22-9-7-11-24(19-22)25-17-18-28(23(2)20-25)29-13-4-3-10-26(29)21-27-12-8-15-31-30-14-5-6-16-32(30)34-33(27)31/h3-20H,21H2,1-2H3
InChIKeySDTWMNBPNAJPHJ-UHFFFAOYSA-N
MW454.64 g/mol
LogP9.60
Rot. Bonds4

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

4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene (PubChem CID 144639778) has the molecular formula C33H26S and a molecular weight of 454.64 g/mol. Its IUPAC name is 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene.

Molecular Properties

Compound Name4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene
PubChem CID144639778
Molecular FormulaC33H26S
Molecular Weight454.64 g/mol
Exact Mass454.18
IUPAC Name4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene
SMILESCc1cccc(-c2ccc(-c3ccccc3Cc3cccc4c3sc3ccccc34)c(C)c2)c1
InChIInChI=1S/C33H26S/c1-22-9-7-11-24(19-22)25-17-18-28(23(2)20-25)29-13-4-3-10-26(29)21-27-12-8-15-31-30-14-5-6-16-32(30)34-33(27)31/h3-20H,21H2,1-2H3
InChIKeySDTWMNBPNAJPHJ-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
4-(3-methylphenyl)dibenzothiophene;4-methyl-6-phenyldibenzothiophene;4-(3-methylphenyl)-6-phenyldibenzothiophene;4-(4-methylphenyl)-6-phenyldibenzothiophene;4-methyl-6-(4-phenylphenyl)dibenzothiophene;4-(3-methylphenyl)-6-(4-phenylphenyl)dibenzothiophene
CID 163715242
2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;2-methyl-8-phenyldibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 161498308
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940
4-methyldibenzothiophene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(4-phenylphenyl)benzene;2-[3-(3-methylphenyl)phenyl]triphenylene;2-[3-(4-methylphenyl)phenyl]triphenylene;2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 159755832
4-[4-[3-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenyl]-2,5-dimethylphenyl]dibenzothiophene
CID 59386402
2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene;4-methyl-6-phenyldibenzothiophene
CID 161143963
4-(3-methyl-5-phenylphenyl)dibenzothiophene
CID 129266975
4-(4-methylphenyl)dibenzothiophene;methylphosphane
CID 142353145
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-4-phenylaniline;toluene
CID 144660342
4-(3-biphenylen-2-ylphenyl)dibenzothiophene
CID 172750240
1-(2-methylphenyl)dibenzofuran;bis(1-(3-methylphenyl)dibenzofuran);2-(2-methylphenyl)dibenzothiophene;2-(3-methylphenyl)dibenzothiophene;2-(4-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene
CID 159452197

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene?
The IUPAC name of 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene (CID 144639778) is 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene.
What is the SMILES notation for 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene?
The canonical SMILES for 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene is Cc1cccc(-c2ccc(-c3ccccc3Cc3cccc4c3sc3ccccc34)c(C)c2)c1.
What is the InChIKey of 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene?
The InChIKey is SDTWMNBPNAJPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26S/c1-22-9-7-11-24(19-22)25-17-18-28(23(2)20-25)29-13-4-3-10-26(29)21-27-12-8-15-31-30-14-5-6-16-32(30)34-33(27)31/h3-20H,21H2,1-2H3.
What are the key properties of 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene?
4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene has a molecular weight of 454.64 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-methyl-4-(3-methylphenyl)phenyl]phenyl]methyl]dibenzothiophene is sourced from PubChem (CID 144639778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).