2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine

C96H68N4O2S2 — CID 157051472

IUPAC2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine
SMILESCc1cc(-c2ccccc2)cc(-c2cccc3c2oc2ccccc23)n1.Cc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccncc2)cc(-c2cccc3c2oc2ccccc23)c1.Cc1cc(-c2ccncc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/2C24H17NO.2C24H17NS/c1-16-13-18(17-9-11-25-12-10-17)15-19(14-16)20-6-4-7-22-21-5-2-3-8-23(21)26-24(20)22;1-16-14-18(17-8-3-2-4-9-17)15-22(25-16)21-12-7-11-20-19-10-5-6-13-23(19)26-24(20)21;1-16-13-18(17-9-11-25-12-10-17)15-19(14-16)20-6-4-7-22-21-5-2-3-8-23(21)26-24(20)22;1-16-14-18(17-8-3-2-4-9-17)15-22(25-16)21-12-7-11-20-19-10-5-6-13-23(19)26-24(20)21/h4*2-15H,1H3
InChIKeyAAGJRWRKISLWHW-UHFFFAOYSA-N
MW1373.76 g/mol
LogP27.43
Rot. Bonds8

About 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine

2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine (PubChem CID 157051472) has the molecular formula C96H68N4O2S2 and a molecular weight of 1373.76 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine
PubChem CID157051472
Molecular FormulaC96H68N4O2S2
Molecular Weight1373.76 g/mol
Exact Mass1372.48
IUPAC Name2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine
SMILESCc1cc(-c2ccccc2)cc(-c2cccc3c2oc2ccccc23)n1.Cc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccncc2)cc(-c2cccc3c2oc2ccccc23)c1.Cc1cc(-c2ccncc2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/2C24H17NO.2C24H17NS/c1-16-13-18(17-9-11-25-12-10-17)15-19(14-16)20-6-4-7-22-21-5-2-3-8-23(21)26-24(20)22;1-16-14-18(17-8-3-2-4-9-17)15-22(25-16)21-12-7-11-20-19-10-5-6-13-23(19)26-24(20)21;1-16-13-18(17-9-11-25-12-10-17)15-19(14-16)20-6-4-7-22-21-5-2-3-8-23(21)26-24(20)22;1-16-14-18(17-8-3-2-4-9-17)15-22(25-16)21-12-7-11-20-19-10-5-6-13-23(19)26-24(20)21/h4*2-15H,1H3
InChIKeyAAGJRWRKISLWHW-UHFFFAOYSA-N
XLogP27.43
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.76
LogP ≤ 527.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine with MolForge

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Related Compounds

2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-3-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519456
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
2-(3H-dibenzofuran-3-id-4-yl)-4-(3,4-difluorophenyl)pyridine;2-dibenzofuran-4-yl-4-(3,4-difluorophenyl)pyridine;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonate
CID 157092046
Benzene;bis(dibenzofuran);bis(dibenzothiophene);9,9-dimethylfluorene;naphthalene;tris(pyridine);toluene;trifluoromethylbenzene
CID 157289789
[7-[Bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]dibenzofuran-3-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[7-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;[6-[5-[bis(4-fluorophenyl)-methylidene-lambda5-phosphanyl]-2-pyridinyl]-3-pyridinyl]-bis(4-fluorophenyl)-methylidene-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]dibenzothiophen-3-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane;methylidene-[7-[methylidene-bis(4-methylphenyl)-lambda5-phosphanyl]-9-phenylcarbazol-2-yl]-bis[4-(trifluoromethyl)phenyl]-lambda5-phosphane
CID 157655597
3,7-Bis[bis(4-fluorophenyl)phosphoryl]dibenzofuran;2,7-bis[bis(4-fluorophenyl)phosphoryl]-9-phenylcarbazole;5-bis(4-methylphenyl)phosphoryl-2-[5-bis[4-(trifluoromethyl)phenyl]phosphoryl-2-pyridinyl]pyridine;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzofuran;2-bis[4-(trifluoromethyl)phenyl]phosphoryl-8-[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]dibenzothiophene
CID 159199834
2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-dibenzofuran-4-ylpyridine;iridium;iridium(3+);methanol;bis(4-methyl-5-phenyl-2-phenylpyridine);trifluoromethanesulfonic acid
CID 160133796
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 162500373
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
tris(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);3,7-diethyl-6-hydroxynon-5-en-4-one;pentakis(iridium);3-(7-methyl-3H-dibenzofuran-3-id-4-yl)-[1]benzothiolo[3,2-c]pyridine;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-4,7-bis(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-7-(2,2,2-trifluoroethyl)-[1]benzothiolo[2,3-c]pyridine;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 163905677

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine?
The IUPAC name of 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine (CID 157051472) is 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine.
What is the SMILES notation for 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine?
The canonical SMILES for 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine is Cc1cc(-c2ccccc2)cc(-c2cccc3c2oc2ccccc23)n1.Cc1cc(-c2ccccc2)cc(-c2cccc3c2sc2ccccc23)n1.Cc1cc(-c2ccncc2)cc(-c2cccc3c2oc2ccccc23)c1.Cc1cc(-c2ccncc2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine?
The InChIKey is AAGJRWRKISLWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H17NO.2C24H17NS/c1-16-13-18(17-9-11-25-12-10-17)15-19(14-16)20-6-4-7-22-21-5-2-3-8-23(21)26-24(20)22;1-16-14-18(17-8-3-2-4-9-17)15-22(25-16)21-12-7-11-20-19-10-5-6-13-23(19)26-24(20)21;1-16-13-18(17-9-11-25-12-10-17)15-19(14-16)20-6-4-7-22-21-5-2-3-8-23(21)26-24(20)22;1-16-14-18(17-8-3-2-4-9-17)15-22(25-16)21-12-7-11-20-19-10-5-6-13-23(19)26-24(20)21/h4*2-15H,1H3.
What are the key properties of 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine?
2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine has a molecular weight of 1373.76 g/mol, XLogP of 27.43, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzofuran-4-yl-5-methylphenyl)pyridine;2-dibenzothiophen-4-yl-6-methyl-4-phenylpyridine;4-(3-dibenzothiophen-4-yl-5-methylphenyl)pyridine is sourced from PubChem (CID 157051472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).