3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

C54H34N2S — CID 129065142

IUPAC3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)sc7ccccc78)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-12-35(13-4-1)36-14-11-17-42(30-36)56-49-20-9-7-18-43(49)46-31-37(23-27-50(46)56)38-24-28-51-47(32-38)48-33-39(25-29-52(48)55(51)41-15-5-2-6-16-41)40-22-26-45-44-19-8-10-21-53(44)57-54(45)34-40/h1-34H
InChIKeyCMFOHOORRCQKGQ-UHFFFAOYSA-N
MW742.95 g/mol
LogP15.25
Rot. Bonds5

About 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 129065142) has the molecular formula C54H34N2S and a molecular weight of 742.95 g/mol. Its IUPAC name is 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID129065142
Molecular FormulaC54H34N2S
Molecular Weight742.95 g/mol
Exact Mass742.24
IUPAC Name3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)sc7ccccc78)ccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C54H34N2S/c1-3-12-35(13-4-1)36-14-11-17-42(30-36)56-49-20-9-7-18-43(49)46-31-37(23-27-50(46)56)38-24-28-51-47(32-38)48-33-39(25-29-52(48)55(51)41-15-5-2-6-16-41)40-22-26-45-44-19-8-10-21-53(44)57-54(45)34-40/h1-34H
InChIKeyCMFOHOORRCQKGQ-UHFFFAOYSA-N
XLogP15.25
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.95
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole (CID 129065142) is 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)sc7ccccc78)ccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is CMFOHOORRCQKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2S/c1-3-12-35(13-4-1)36-14-11-17-42(30-36)56-49-20-9-7-18-43(49)46-31-37(23-27-50(46)56)38-24-28-51-47(32-38)48-33-39(25-29-52(48)55(51)41-15-5-2-6-16-41)40-22-26-45-44-19-8-10-21-53(44)57-54(45)34-40/h1-34H.
What are the key properties of 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole?
3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole has a molecular weight of 742.95 g/mol, XLogP of 15.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 129065142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).