9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole

C54H32N2O2S3 — CID 71232628

IUPAC9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole
SMILESO=S(=O)(c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3sc4ccccc4c3c2)c1)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C54H32N2O2S3/c57-61(58,38-23-25-50-44(32-38)40-13-2-6-17-48(40)56(50)36-21-27-54-46(30-36)42-15-4-8-19-52(42)60-54)37-22-24-49-43(31-37)39-12-1-5-16-47(39)55(49)35-11-9-10-33(28-35)34-20-26-53-45(29-34)41-14-3-7-18-51(41)59-53/h1-32H
InChIKeyPNVIUXJKEMJVTE-UHFFFAOYSA-N
MW837.06 g/mol
LogP15.12
Rot. Bonds5

About 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole

9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole (PubChem CID 71232628) has the molecular formula C54H32N2O2S3 and a molecular weight of 837.06 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole
PubChem CID71232628
Molecular FormulaC54H32N2O2S3
Molecular Weight837.06 g/mol
Exact Mass836.16
IUPAC Name9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole
SMILESO=S(=O)(c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3sc4ccccc4c3c2)c1)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C54H32N2O2S3/c57-61(58,38-23-25-50-44(32-38)40-13-2-6-17-48(40)56(50)36-21-27-54-46(30-36)42-15-4-8-19-52(42)60-54)37-22-24-49-43(31-37)39-12-1-5-16-47(39)55(49)35-11-9-10-33(28-35)34-20-26-53-45(29-34)41-14-3-7-18-51(41)59-53/h1-32H
InChIKeyPNVIUXJKEMJVTE-UHFFFAOYSA-N
XLogP15.12
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.06
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 163777436
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
CID 144619443
CID 144619443
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole;ethane;3-phenyl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 144750087
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
3-(8-phenyldibenzothiophen-2-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 118488408
3-[9-(3-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-dibenzothiophen-2-ylcarbazole
CID 155305717
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole (CID 71232628) is 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole is O=S(=O)(c1ccc2c(c1)c1ccccc1n2-c1cccc(-c2ccc3sc4ccccc4c3c2)c1)c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole?
The InChIKey is PNVIUXJKEMJVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2S3/c57-61(58,38-23-25-50-44(32-38)40-13-2-6-17-48(40)56(50)36-21-27-54-46(30-36)42-15-4-8-19-52(42)60-54)37-22-24-49-43(31-37)39-12-1-5-16-47(39)55(49)35-11-9-10-33(28-35)34-20-26-53-45(29-34)41-14-3-7-18-51(41)59-53/h1-32H.
What are the key properties of 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole?
9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole has a molecular weight of 837.06 g/mol, XLogP of 15.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]sulfonylcarbazole is sourced from PubChem (CID 71232628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).