9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole

C52H31N3OS — CID 58501544

IUPAC9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3ccc4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)c2)nc1
InChIInChI=1S/C52H31N3OS/c1-2-13-49-39(10-1)42-27-33(16-21-50(42)56-49)35-18-23-52-44(29-35)43-28-34(17-22-51(43)57-52)32-8-7-9-38(26-32)55-47-19-14-36(45-11-3-5-24-53-45)30-40(47)41-31-37(15-20-48(41)55)46-12-4-6-25-54-46/h1-31H
InChIKeyWFUXUYJSLNSVQE-UHFFFAOYSA-N
MW745.91 g/mol
LogP14.51
Rot. Bonds5

About 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole

9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole (PubChem CID 58501544) has the molecular formula C52H31N3OS and a molecular weight of 745.91 g/mol. Its IUPAC name is 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole.

Molecular Properties

Compound Name9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
PubChem CID58501544
Molecular FormulaC52H31N3OS
Molecular Weight745.91 g/mol
Exact Mass745.22
IUPAC Name9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3ccc4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)c2)nc1
InChIInChI=1S/C52H31N3OS/c1-2-13-49-39(10-1)42-27-33(16-21-50(42)56-49)35-18-23-52-44(29-35)43-28-34(17-22-51(43)57-52)32-8-7-9-38(26-32)55-47-19-14-36(45-11-3-5-24-53-45)30-40(47)41-31-37(15-20-48(41)55)46-12-4-6-25-54-46/h1-31H
InChIKeyWFUXUYJSLNSVQE-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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Related Compounds

N-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)-5-(8-phenyldibenzothiophen-2-yl)phenyl]-N-(4-fluorophenyl)isoquinolin-6-amine
CID 122666307
3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-methylcarbazole
CID 134337714
3-Dibenzofuran-2-yl-9-(2,3-diphenyl-1-benzothiophen-5-yl)-1,8-difluoro-6-(trifluoromethyl)carbazole
CID 134343628
3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
8-[4-([1]Benzothiolo[2,3-b]carbazol-7-yl)phenyl]-6-[3,5-bis(trifluoromethyl)phenyl]-2-phenylchromen-4-one
CID 135252646
6-Dibenzofuran-4-yl-9-dibenzothiophen-2-yl-2-fluorocarbazole
CID 146368869
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 155135319
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135461
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 155135485
N-[4-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)phenyl]-4-[9-(4-fluorophenyl)carbazol-3-yl]-N-phenylaniline
CID 155135572
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606

Frequently Asked Questions

What is the IUPAC name of 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole?
The IUPAC name of 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole (CID 58501544) is 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole.
What is the SMILES notation for 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole?
The canonical SMILES for 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccn4)ccc2n3-c2cccc(-c3ccc4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)c2)nc1.
What is the InChIKey of 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole?
The InChIKey is WFUXUYJSLNSVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3OS/c1-2-13-49-39(10-1)42-27-33(16-21-50(42)56-49)35-18-23-52-44(29-35)43-28-34(17-22-51(43)57-52)32-8-7-9-38(26-32)55-47-19-14-36(45-11-3-5-24-53-45)30-40(47)41-31-37(15-20-48(41)55)46-12-4-6-25-54-46/h1-31H.
What are the key properties of 9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole?
9-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole 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-[3-(8-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole is sourced from PubChem (CID 58501544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).