2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide

C48H30N2O2S — CID 135252120

IUPAC2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C48H30N2O2S/c51-53(52)47-27-25-31(33-13-1-7-19-41(33)49-43-21-9-3-15-35(43)36-16-4-10-22-44(36)49)29-39(47)40-30-32(26-28-48(40)53)34-14-2-8-20-42(34)50-45-23-11-5-17-37(45)38-18-6-12-24-46(38)50/h1-30H
InChIKeyFQAZMFVXURSVER-UHFFFAOYSA-N
MW698.85 g/mol
LogP12.03
Rot. Bonds4

About 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide

2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide (PubChem CID 135252120) has the molecular formula C48H30N2O2S and a molecular weight of 698.85 g/mol. Its IUPAC name is 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
PubChem CID135252120
Molecular FormulaC48H30N2O2S
Molecular Weight698.85 g/mol
Exact Mass698.20
IUPAC Name2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
SMILESO=S1(=O)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C48H30N2O2S/c51-53(52)47-27-25-31(33-13-1-7-19-41(33)49-43-21-9-3-15-35(43)36-16-4-10-22-44(36)49)29-39(47)40-30-32(26-28-48(40)53)34-14-2-8-20-42(34)50-45-23-11-5-17-37(45)38-18-6-12-24-46(38)50/h1-30H
InChIKeyFQAZMFVXURSVER-UHFFFAOYSA-N
XLogP12.03
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.85
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
9-[2-(4-chloro-3-phenylphenyl)phenyl]carbazole
CID 167454754
2-carbazol-9-yl-8-(5-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)dibenzothiophene 5,5-dioxide
CID 121289007
3-carbazol-9-yldibenzothiophene 5,5-dioxide
CID 135131341
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
2,8-bis[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]dibenzothiophene 5,5-dioxide
CID 121286303
2-[6-(5-methylindolo[3,2-b]carbazol-11-yl)dibenzothiophen-4-yl]-10,10-dioxothioxanthen-9-one
CID 122435447
9-[2-(2-carbazol-9-yl-4-phenylphenyl)phenyl]carbazole
CID 138513637
CID 175082744
CID 175082744
9-[2-(4-phosphorosophenyl)phenyl]carbazole
CID 175902814
2-carbazol-9-yl-8-[3-[9-[4-(4-carbazol-9-ylphenyl)sulfonylphenyl]carbazol-3-yl]carbazol-9-yl]dibenzothiophene 5,5-dioxide
CID 167284800
9-[2-[4-(4-chlorophenyl)phenyl]phenyl]carbazole
CID 142416174

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide (CID 135252120) is 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide is O=S1(=O)c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2-c2cc(-c3ccccc3-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide?
The InChIKey is FQAZMFVXURSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2S/c51-53(52)47-27-25-31(33-13-1-7-19-41(33)49-43-21-9-3-15-35(43)36-16-4-10-22-44(36)49)29-39(47)40-30-32(26-28-48(40)53)34-14-2-8-20-42(34)50-45-23-11-5-17-37(45)38-18-6-12-24-46(38)50/h1-30H.
What are the key properties of 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide?
2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide has a molecular weight of 698.85 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 135252120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).