9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole

C52H31N3OS — CID 58501567

IUPAC9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2ccc3sc4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7-c7ccccn7)ccc5n6-c5ccc6oc7ccccc7c6c5)cc4c3c2)nc1
InChIInChI=1S/C52H31N3OS/c1-2-10-38(46-13-6-8-26-54-46)37(9-1)34-16-21-48-41(29-34)40-27-32(15-20-47(40)55(48)36-19-22-50-42(31-36)39-11-3-4-14-49(39)56-50)33-17-23-51-43(28-33)44-30-35(18-24-52(44)57-51)45-12-5-7-25-53-45/h1-31H
InChIKeyLGGLSBUVLJTSKE-UHFFFAOYSA-N
MW745.91 g/mol
LogP14.51
Rot. Bonds5

About 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole

9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole (PubChem CID 58501567) has the molecular formula C52H31N3OS and a molecular weight of 745.91 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
PubChem CID58501567
Molecular FormulaC52H31N3OS
Molecular Weight745.91 g/mol
Exact Mass745.22
IUPAC Name9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2ccc3sc4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7-c7ccccn7)ccc5n6-c5ccc6oc7ccccc7c6c5)cc4c3c2)nc1
InChIInChI=1S/C52H31N3OS/c1-2-10-38(46-13-6-8-26-54-46)37(9-1)34-16-21-48-41(29-34)40-27-32(15-20-47(40)55(48)36-19-22-50-42(31-36)39-11-3-4-14-49(39)56-50)33-17-23-51-43(28-33)44-30-35(18-24-52(44)57-51)45-12-5-7-25-53-45/h1-31H
InChIKeyLGGLSBUVLJTSKE-UHFFFAOYSA-N
XLogP14.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.91
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole (CID 58501567) is 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole is c1ccc(-c2ccc3sc4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7-c7ccccn7)ccc5n6-c5ccc6oc7ccccc7c6c5)cc4c3c2)nc1.
What is the InChIKey of 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole?
The InChIKey is LGGLSBUVLJTSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3OS/c1-2-10-38(46-13-6-8-26-54-46)37(9-1)34-16-21-48-41(29-34)40-27-32(15-20-47(40)55(48)36-19-22-50-42(31-36)39-11-3-4-14-49(39)56-50)33-17-23-51-43(28-33)44-30-35(18-24-52(44)57-51)45-12-5-7-25-53-45/h1-31H.
What are the key properties of 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole?
9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole has a molecular weight of 745.91 g/mol, XLogP of 14.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 58501567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).