4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene

C202H175N3O2S2 — CID 157220037

IUPAC4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2c1oc1c(-c3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1c(-c3ccccc3)cccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C19H14O.C19H14S.C19H14.C19H16.2C16H16.2C15H12.C13H10O.C13H10S.C13H12.C7H8.3C6H7N/c2*1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;2*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2*2-12H,1H3;2-12H,1H3;2-14H,1H3;2*4-10H,1-3H3;2*2-10H,1H3;2*2-8H,1H3;2-10H,1H3;2-6H,1H3;3*2-5H,1H3
InChIKeyASWJAZSOFDTYGT-UHFFFAOYSA-N
MW2740.77 g/mol
LogP57.66
Rot. Bonds5

About 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene

4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene (PubChem CID 157220037) has the molecular formula C202H175N3O2S2 and a molecular weight of 2740.77 g/mol. Its IUPAC name is 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene.

Molecular Properties

Compound Name4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
PubChem CID157220037
Molecular FormulaC202H175N3O2S2
Molecular Weight2740.77 g/mol
Exact Mass2738.31
IUPAC Name4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2c1oc1c(-c3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1c(-c3ccccc3)cccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
InChIInChI=1S/C19H14O.C19H14S.C19H14.C19H16.2C16H16.2C15H12.C13H10O.C13H10S.C13H12.C7H8.3C6H7N/c2*1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;2*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2*2-12H,1H3;2-12H,1H3;2-14H,1H3;2*4-10H,1-3H3;2*2-10H,1H3;2*2-8H,1H3;2-10H,1H3;2-6H,1H3;3*2-5H,1H3
InChIKeyASWJAZSOFDTYGT-UHFFFAOYSA-N
XLogP57.66
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms209
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002740.77
LogP ≤ 557.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
2-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;2-bis(4-fluorophenyl)phosphoryltriphenylene;2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-2-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-2-yl)phosphoryl]dibenzothiophene;diphenyl-sulfanylidene-triphenylen-2-yl-lambda5-phosphane;2-[1,10-phenanthrolin-2-yl(triphenylen-2-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-2-ylphosphoryl]carbazole
CID 157683743
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)thieno[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;6-(4-tert-butyl-1H-naphthalen-1-id-2-yl)-3-(3,3,3-trifluoropropyl)thieno[2,3-f]isoquinoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);6-(3,5-dimethylbenzene-6-id-1-yl)-3-(2,2-dimethylpropyl)furo[2,3-f]isoquinoline;tetrakis(iridium)
CID 160273940
1,4-Difluoro-2,5-dimethylbenzene;4,7-dimethyl-1-benzothiophene;1,4-dimethyldibenzofuran;5,8-dimethylisoquinoline;1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,4-dimethyl-2-(trifluoromethyl)benzene;1-methyl-4-(4-methylphenyl)benzene;2,6,9,9-tetramethylfluorene;2,7,9,9-tetramethylfluorene;1,3-xylene;1,4-xylene
CID 160324263
2-Tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;3-tert-butyl-1-benzothiophene;5-tert-butyl-1-benzothiophene;6-tert-butyl-1-benzothiophene;2-tert-butylfuran;3-tert-butylfuran;4-tert-butyl-1-methoxy-2-methylbenzene;3-tert-butylpyridine;4-tert-butylpyridine;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 160821444
4-(9,9-Dimethyl-3-pentylfluoren-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[3-(2-ethylhexyl)-1-benzofuran-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-[3-(2-ethylhexyl)-1-benzothiophen-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-hexylpyren-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161603802
3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;bis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;15-(7-methyl-3H-dibenzofuran-3-id-4-yl)-17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-7-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 163689927
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;4-[5-(2,2-dimethylpropyl)thiophen-2-yl]-2-(6H-naphtho[2,1-b][1]benzofuran-6-id-5-yl)-5-(trifluoromethyl)pyridine;iridium
CID 165168085
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167358048
2-(6-Dibenzothiophen-2-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167358203
1-(7-Tert-butyl-8-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-(3-methyl-1-benzothiophen-2-yl)isoquinolin-2-ium
CID 169033846
1-(7-Tert-butyl-8-fluoro-2-methyldibenzofuran-4-yl)-6-(3-methyl-1-benzothiophen-2-yl)isoquinoline
CID 170219905

Frequently Asked Questions

What is the IUPAC name of 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The IUPAC name of 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene (CID 157220037) is 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene.
What is the SMILES notation for 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The canonical SMILES for 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene is Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2c3ccccc3c3ccccc3c2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc2c1oc1c(-c3ccccc3)cccc12.Cc1cccc2c1oc1ccccc12.Cc1cccc2c1sc1c(-c3ccccc3)cccc12.Cc1cccc2c1sc1ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.
What is the InChIKey of 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The InChIKey is ASWJAZSOFDTYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C19H14S.C19H14.C19H16.2C16H16.2C15H12.C13H10O.C13H10S.C13H12.C7H8.3C6H7N/c2*1-13-7-5-11-16-17-12-6-10-15(19(17)20-18(13)16)14-8-3-2-4-9-14;1-13-10-11-18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19(18)12-13;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;2*1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-7-5-3-2-4-6-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6/h2*2-12H,1H3;2-12H,1H3;2-14H,1H3;2*4-10H,1-3H3;2*2-10H,1H3;2*2-8H,1H3;2-10H,1H3;2-6H,1H3;3*2-5H,1H3.
What are the key properties of 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene has a molecular weight of 2740.77 g/mol, XLogP of 57.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldibenzofuran;4-methyldibenzothiophene;1-methyl-3,5-diphenylbenzene;2-methylphenanthrene;9-methylphenanthrene;1-methyl-3-phenylbenzene;4-methyl-6-phenyldibenzofuran;4-methyl-6-phenyldibenzothiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methyltriphenylene;toluene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene is sourced from PubChem (CID 157220037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).