4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide

C53H34N2O2S — CID 118149361

IUPAC4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cccc(-c3ccccc3-n3c4ccccc4c4cc(-c5ccccc5-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)c21
InChIInChI=1S/C53H34N2O2S/c56-58(57)52-29-14-11-24-43(52)45-26-15-25-44(53(45)58)41-22-9-12-27-49(41)55-50-28-13-10-23-42(50)46-32-37(30-31-51(46)55)39-20-7-8-21-40(39)48-34-38(35-16-3-1-4-17-35)33-47(54-48)36-18-5-2-6-19-36/h1-34H
InChIKeyMHAIEBAFGQWZBX-UHFFFAOYSA-N
MW762.93 g/mol
LogP13.33
Rot. Bonds6

About 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide

4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide (PubChem CID 118149361) has the molecular formula C53H34N2O2S and a molecular weight of 762.93 g/mol. Its IUPAC name is 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide
PubChem CID118149361
Molecular FormulaC53H34N2O2S
Molecular Weight762.93 g/mol
Exact Mass762.23
IUPAC Name4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccccc2-c2cccc(-c3ccccc3-n3c4ccccc4c4cc(-c5ccccc5-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)c21
InChIInChI=1S/C53H34N2O2S/c56-58(57)52-29-14-11-24-43(52)45-26-15-25-44(53(45)58)41-22-9-12-27-49(41)55-50-28-13-10-23-42(50)46-32-37(30-31-51(46)55)39-20-7-8-21-40(39)48-34-38(35-16-3-1-4-17-35)33-47(54-48)36-18-5-2-6-19-36/h1-34H
InChIKeyMHAIEBAFGQWZBX-UHFFFAOYSA-N
XLogP13.33
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.93
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149343
9-(2-dibenzofuran-4-ylphenyl)-3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 118149283
9-(2-dibenzofuran-4-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(2-dibenzofuran-4-ylphenyl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158166248
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590699
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(3,6-diphenylcarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 159261000
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
CID 121355785
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155463279
9-[2-[6-(3-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[2-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165057661
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149315
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide?
The IUPAC name of 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide (CID 118149361) is 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide?
The canonical SMILES for 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccccc2-c2cccc(-c3ccccc3-n3c4ccccc4c4cc(-c5ccccc5-c5cc(-c6ccccc6)cc(-c6ccccc6)n5)ccc43)c21.
What is the InChIKey of 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide?
The InChIKey is MHAIEBAFGQWZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2S/c56-58(57)52-29-14-11-24-43(52)45-26-15-25-44(53(45)58)41-22-9-12-27-49(41)55-50-28-13-10-23-42(50)46-32-37(30-31-51(46)55)39-20-7-8-21-40(39)48-34-38(35-16-3-1-4-17-35)33-47(54-48)36-18-5-2-6-19-36/h1-34H.
What are the key properties of 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide?
4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide has a molecular weight of 762.93 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 118149361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).