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

C157H118S — CID 159755832

IUPAC4-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
SMILESCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1.Cc1cccc2c1sc1ccccc12
InChIInChI=1S/2C31H22.C25H18.C19H14.2C19H16.C13H10S/c1-21-8-6-9-22(18-21)23-10-7-11-24(19-23)25-16-17-30-28-14-3-2-12-26(28)27-13-4-5-15-29(27)31(30)20-25;1-21-13-15-22(16-14-21)23-7-6-8-24(19-23)25-17-18-30-28-11-3-2-9-26(28)27-10-4-5-12-29(27)31(30)20-25;1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-15-6-5-9-19(14-15)18-12-10-17(11-13-18)16-7-3-2-4-8-16;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2*2-20H,1H3;2-16H,1H3;2-12H,1H3;2*2-14H,1H3;2-8H,1H3
InChIKeyNEGBJCORSBDZBE-UHFFFAOYSA-N
MW2036.74 g/mol
LogP45.17
Rot. Bonds9

About 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

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 (PubChem CID 159755832) has the molecular formula C157H118S and a molecular weight of 2036.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159755832
Molecular FormulaC157H118S
Molecular Weight2036.74 g/mol
Exact Mass2034.90
IUPAC Name4-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
SMILESCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1.Cc1cccc2c1sc1ccccc12
InChIInChI=1S/2C31H22.C25H18.C19H14.2C19H16.C13H10S/c1-21-8-6-9-22(18-21)23-10-7-11-24(19-23)25-16-17-30-28-14-3-2-12-26(28)27-13-4-5-15-29(27)31(30)20-25;1-21-13-15-22(16-14-21)23-7-6-8-24(19-23)25-17-18-30-28-11-3-2-9-26(28)27-10-4-5-12-29(27)31(30)20-25;1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-15-6-5-9-19(14-15)18-12-10-17(11-13-18)16-7-3-2-4-8-16;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2*2-20H,1H3;2-16H,1H3;2-12H,1H3;2*2-14H,1H3;2-8H,1H3
InChIKeyNEGBJCORSBDZBE-UHFFFAOYSA-N
XLogP45.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms158
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002036.74
LogP ≤ 545.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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;4-(2-methylphenyl)dibenzothiophene;4-(3-methylphenyl)dibenzothiophene;4-(4-methylphenyl)dibenzothiophene;4-methyl-6-phenyldibenzothiophene
CID 161143963
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);bis(3-methyldibenzothiophene);4-methyldibenzothiophene;toluene
CID 157283960
1-methyldibenzothiophene;2-methyldibenzothiophene;bis(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158815126
bis(1-methyldibenzothiophene);bis(2-methyldibenzothiophene);tris(3-methyldibenzothiophene);bis(4-methyldibenzothiophene);toluene
CID 158221081
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-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
CID 159617411
CID 159617411
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
5-[10-(3-phenylphenyl)anthracen-9-yl]-16-thiahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 147541455
4-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349921
2-(3-dibenzothiophen-4-ylphenyl)-4-[4-(3-methylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170201940

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)cc1.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.Cc1cccc(-c2cccc(-c3ccc4c5ccccc5c5ccccc5c4c3)c2)c1.Cc1cccc2c1sc1ccccc12.
What is the InChIKey of 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?
The InChIKey is NEGBJCORSBDZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H22.C25H18.C19H14.2C19H16.C13H10S/c1-21-8-6-9-22(18-21)23-10-7-11-24(19-23)25-16-17-30-28-14-3-2-12-26(28)27-13-4-5-15-29(27)31(30)20-25;1-21-13-15-22(16-14-21)23-7-6-8-24(19-23)25-17-18-30-28-11-3-2-9-26(28)27-10-4-5-12-29(27)31(30)20-25;1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-15-6-5-9-19(14-15)18-12-10-17(11-13-18)16-7-3-2-4-8-16;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11/h2*2-20H,1H3;2-16H,1H3;2-12H,1H3;2*2-14H,1H3;2-8H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2036.74 g/mol, XLogP of 45.17, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159755832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).