3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene

C34H30S — CID 145354620

IUPAC3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene
SMILESCC1=Cc2sc3cc(-c4cccc(-c5cccc(-c6ccccc6C)c5C)c4C)ccc3c2CC1
InChIInChI=1S/C34H30S/c1-21-15-17-31-32-18-16-25(20-34(32)35-33(31)19-21)27-11-7-13-29(23(27)3)30-14-8-12-28(24(30)4)26-10-6-5-9-22(26)2/h5-14,16,18-20H,15,17H2,1-4H3
InChIKeyIZMWKUSNSZCPHP-UHFFFAOYSA-N
MW470.68 g/mol
LogP10.18
Rot. Bonds3

About 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene

3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene (PubChem CID 145354620) has the molecular formula C34H30S and a molecular weight of 470.68 g/mol. Its IUPAC name is 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene.

Molecular Properties

Compound Name3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene
PubChem CID145354620
Molecular FormulaC34H30S
Molecular Weight470.68 g/mol
Exact Mass470.21
IUPAC Name3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene
SMILESCC1=Cc2sc3cc(-c4cccc(-c5cccc(-c6ccccc6C)c5C)c4C)ccc3c2CC1
InChIInChI=1S/C34H30S/c1-21-15-17-31-32-18-16-25(20-34(32)35-33(31)19-21)27-11-7-13-29(23(27)3)30-14-8-12-28(24(30)4)26-10-6-5-9-22(26)2/h5-14,16,18-20H,15,17H2,1-4H3
InChIKeyIZMWKUSNSZCPHP-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.68
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887
3-(2-methyl-3-phenylphenyl)dibenzothiophene
CID 146397483
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
CID 157108614
7,22-dimethyl-4,19-dithianonacyclo[15.13.1.12,12.03,11.05,10.018,26.020,25.027,31.016,32]dotriaconta-1,3(11),5(10),6,8,12(32),13,15,17(31),18(26),20(25),21,27,29-tetradecaene
CID 88899383
(2R)-5-[2-methyl-3-(2-methylphenyl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 172834225
2-methyl-1H-cyclopenta[b][1]benzothiole
CID 68583963
1,2-dimethyl-3-[2-methyl-5-(2-methylphenyl)phenyl]benzene
CID 123207081
9-[4-(3-dibenzothiophen-2-yl-2-methylphenyl)-3-methylcyclohexa-1,3-dien-1-yl]carbazole
CID 170278377
2-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]triphenylene
CID 144803354
N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine
CID 144907594
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
4-(2-methylphenyl)-2-phenyl-1H-indene
CID 87905958

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene?
The IUPAC name of 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene (CID 145354620) is 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene.
What is the SMILES notation for 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene?
The canonical SMILES for 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene is CC1=Cc2sc3cc(-c4cccc(-c5cccc(-c6ccccc6C)c5C)c4C)ccc3c2CC1.
What is the InChIKey of 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene?
The InChIKey is IZMWKUSNSZCPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30S/c1-21-15-17-31-32-18-16-25(20-34(32)35-33(31)19-21)27-11-7-13-29(23(27)3)30-14-8-12-28(24(30)4)26-10-6-5-9-22(26)2/h5-14,16,18-20H,15,17H2,1-4H3.
What are the key properties of 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene?
3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene has a molecular weight of 470.68 g/mol, XLogP of 10.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-1,2-dihydrodibenzothiophene is sourced from PubChem (CID 145354620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).