6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole

C64H37N3O2S — CID 168768268

IUPAC6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccc(-c8cccc9c8sc8ccccc89)cc6n7-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C64H37N3O2S/c1-3-13-38(14-4-1)53-37-54(42-26-30-47-46-17-7-9-22-57(46)69-60(47)36-42)66-64(65-53)50-21-12-23-59-62(50)52-34-40(28-32-58(52)68-59)39-27-31-55-51(33-39)45-29-25-41(35-56(45)67(55)43-15-5-2-6-16-43)44-19-11-20-49-48-18-8-10-24-61(48)70-63(44)49/h1-37H
InChIKeyXYJMQXNFJYQLNE-UHFFFAOYSA-N
MW912.09 g/mol
LogP18.08
Rot. Bonds6

About 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole

6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole (PubChem CID 168768268) has the molecular formula C64H37N3O2S and a molecular weight of 912.09 g/mol. Its IUPAC name is 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole.

Molecular Properties

Compound Name6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole
PubChem CID168768268
Molecular FormulaC64H37N3O2S
Molecular Weight912.09 g/mol
Exact Mass911.26
IUPAC Name6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccc(-c8cccc9c8sc8ccccc89)cc6n7-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C64H37N3O2S/c1-3-13-38(14-4-1)53-37-54(42-26-30-47-46-17-7-9-22-57(46)69-60(47)36-42)66-64(65-53)50-21-12-23-59-62(50)52-34-40(28-32-58(52)68-59)39-27-31-55-51(33-39)45-29-25-41(35-56(45)67(55)43-15-5-2-6-16-43)44-19-11-20-49-48-18-8-10-24-61(48)70-63(44)49/h1-37H
InChIKeyXYJMQXNFJYQLNE-UHFFFAOYSA-N
XLogP18.08
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.09
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
3-[2-[9-[4-(8-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768714
3-[8-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768597
8-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 166914793
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
3-[2-[9-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768197
3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 159076977
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
2-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 118507640
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392
3-dibenzofuran-3-yl-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 165046389
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119

Frequently Asked Questions

What is the IUPAC name of 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole?
The IUPAC name of 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole (CID 168768268) is 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole.
What is the SMILES notation for 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole?
The canonical SMILES for 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole is c1ccc(-c2cc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccc(-c8cccc9c8sc8ccccc89)cc6n7-c6ccccc6)cc5c34)n2)cc1.
What is the InChIKey of 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole?
The InChIKey is XYJMQXNFJYQLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N3O2S/c1-3-13-38(14-4-1)53-37-54(42-26-30-47-46-17-7-9-22-57(46)69-60(47)36-42)66-64(65-53)50-21-12-23-59-62(50)52-34-40(28-32-58(52)68-59)39-27-31-55-51(33-39)45-29-25-41(35-56(45)67(55)43-15-5-2-6-16-43)44-19-11-20-49-48-18-8-10-24-61(48)70-63(44)49/h1-37H.
What are the key properties of 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole?
6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole has a molecular weight of 912.09 g/mol, XLogP of 18.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)dibenzofuran-2-yl]-2-dibenzothiophen-4-yl-9-phenylcarbazole is sourced from PubChem (CID 168768268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).