3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine

C54H35NOS — CID 144956050

IUPAC3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine
SMILESCc1c(-c2cccc(-c3cccc4oc5c(-c6cccc7c6sc6c(-c8ccccc8)cccc67)cccc5c34)c2)cc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C54H35NOS/c1-34-47(33-48(36-18-7-3-8-19-36)55-51(34)37-20-9-4-10-21-37)39-23-11-22-38(32-39)40-24-15-31-49-50(40)46-30-13-26-42(52(46)56-49)43-27-14-29-45-44-28-12-25-41(53(44)57-54(43)45)35-16-5-2-6-17-35/h2-33H,1H3
InChIKeyVZBVRUFVKOXNCO-UHFFFAOYSA-N
MW745.95 g/mol
LogP15.66
Rot. Bonds6

About 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine

3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine (PubChem CID 144956050) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine
PubChem CID144956050
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC Name3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine
SMILESCc1c(-c2cccc(-c3cccc4oc5c(-c6cccc7c6sc6c(-c8ccccc8)cccc67)cccc5c34)c2)cc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C54H35NOS/c1-34-47(33-48(36-18-7-3-8-19-36)55-51(34)37-20-9-4-10-21-37)39-23-11-22-38(32-39)40-24-15-31-49-50(40)46-30-13-26-42(52(46)56-49)43-27-14-29-45-44-28-12-25-41(53(44)57-54(43)45)35-16-5-2-6-17-35/h2-33H,1H3
InChIKeyVZBVRUFVKOXNCO-UHFFFAOYSA-N
XLogP15.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.95
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine with MolForge

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Related Compounds

4-[4-[4-(7-Fluorodibenzofuran-2-yl)phenyl]phenyl]-2-(4-naphthalen-1-ylphenyl)-6-phenylpyridine
CID 89991525
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
2-[4-[7-(3-Fluorophenyl)-7-phenylfluoreno[4,3-b][1]benzofuran-5-yl]phenyl]-6-phenylpyridine
CID 140939327
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
(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
2-[6-(1-Benzothiophen-6-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849211
2-[7-Fluoro-3-methyl-6-(4-phenylphenyl)dibenzofuran-4-yl]-3-methyl-1,3-benzothiazol-3-ium
CID 164849391
2-[7-Fluoro-3-methyl-6-(3-phenylphenyl)dibenzofuran-4-yl]-3-methyl-1,3-benzothiazol-3-ium
CID 164849850
2-[6-(1-Benzothiophen-5-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849901
2-[6-[4-(2,3-Dihydro-1-benzothiophen-2-yl)phenyl]-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037604

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine?
The IUPAC name of 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine (CID 144956050) is 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine.
What is the SMILES notation for 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine?
The canonical SMILES for 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine is Cc1c(-c2cccc(-c3cccc4oc5c(-c6cccc7c6sc6c(-c8ccccc8)cccc67)cccc5c34)c2)cc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine?
The InChIKey is VZBVRUFVKOXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-34-47(33-48(36-18-7-3-8-19-36)55-51(34)37-20-9-4-10-21-37)39-23-11-22-38(32-39)40-24-15-31-49-50(40)46-30-13-26-42(52(46)56-49)43-27-14-29-45-44-28-12-25-41(53(44)57-54(43)45)35-16-5-2-6-17-35/h2-33H,1H3.
What are the key properties of 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine?
3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine has a molecular weight of 745.95 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-diphenyl-4-[3-[6-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]pyridine is sourced from PubChem (CID 144956050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).