8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide

C47H31NO2S — CID 169131680

IUPAC8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2-c2c(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C47H31NO2S/c49-51(50)45-28-27-39(36-23-19-34(20-24-36)32-11-4-1-5-12-32)29-42(45)47-41(17-10-18-46(47)51)44-31-40(30-43(48-44)38-15-8-3-9-16-38)37-25-21-35(22-26-37)33-13-6-2-7-14-33/h1-31H
InChIKeyVUGSWBKHKTWVEM-UHFFFAOYSA-N
MW673.84 g/mol
LogP11.90
Rot. Bonds6

About 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide

8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide (PubChem CID 169131680) has the molecular formula C47H31NO2S and a molecular weight of 673.84 g/mol. Its IUPAC name is 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide
PubChem CID169131680
Molecular FormulaC47H31NO2S
Molecular Weight673.84 g/mol
Exact Mass673.21
IUPAC Name8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2-c2c(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C47H31NO2S/c49-51(50)45-28-27-39(36-23-19-34(20-24-36)32-11-4-1-5-12-32)29-42(45)47-41(17-10-18-46(47)51)44-31-40(30-43(48-44)38-15-8-3-9-16-38)37-25-21-35(22-26-37)33-13-6-2-7-14-33/h1-31H
InChIKeyVUGSWBKHKTWVEM-UHFFFAOYSA-N
XLogP11.90
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.84
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
4-(2,6-diphenylpyrimidin-4-yl)-26λ6-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaene 26,26-dioxide
CID 134572058
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
8-dibenzofuran-3-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophene 5,5-dioxide
CID 176754995
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-(6-bromo-2-pyridinyl)-6-phenyl-4-tetraphenylen-2-ylpyridine
CID 156554605
2-[4-[5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine
CID 118075155
2-[9,9-dimethyl-6'-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-yl]-4,6-diphenylpyridine
CID 153293196
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704

Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide?
The IUPAC name of 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide (CID 169131680) is 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide?
The canonical SMILES for 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)cc2-c2c(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide?
The InChIKey is VUGSWBKHKTWVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NO2S/c49-51(50)45-28-27-39(36-23-19-34(20-24-36)32-11-4-1-5-12-32)29-42(45)47-41(17-10-18-46(47)51)44-31-40(30-43(48-44)38-15-8-3-9-16-38)37-25-21-35(22-26-37)33-13-6-2-7-14-33/h1-31H.
What are the key properties of 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide?
8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide has a molecular weight of 673.84 g/mol, XLogP of 11.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylphenyl)-1-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 169131680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).