5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole

C63H37N5OS — CID 169014557

IUPAC5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc3c2oc2cc(-c4nc(-c5cccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)c5)nc(-c5cccc6sc7ccccc7c56)n4)ccc23)cc1
InChIInChI=1S/C63H37N5OS/c1-3-16-38(17-4-1)43-25-14-26-47-46-33-32-40(35-56(46)69-60(43)47)62-64-61(65-63(66-62)49-27-15-31-58-59(49)48-24-9-12-30-57(48)70-58)39-18-13-21-42(34-39)68-53-29-11-8-23-45(53)51-36-50-44-22-7-10-28-52(44)67(54(50)37-55(51)68)41-19-5-2-6-20-41/h1-37H
InChIKeyIWOALRRAEKUQSF-UHFFFAOYSA-N
MW912.09 g/mol
LogP17.00
Rot. Bonds6

About 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole

5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 169014557) has the molecular formula C63H37N5OS and a molecular weight of 912.09 g/mol. Its IUPAC name is 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID169014557
Molecular FormulaC63H37N5OS
Molecular Weight912.09 g/mol
Exact Mass911.27
IUPAC Name5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc3c2oc2cc(-c4nc(-c5cccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)c5)nc(-c5cccc6sc7ccccc7c56)n4)ccc23)cc1
InChIInChI=1S/C63H37N5OS/c1-3-16-38(17-4-1)43-25-14-26-47-46-33-32-40(35-56(46)69-60(43)47)62-64-61(65-63(66-62)49-27-15-31-58-59(49)48-24-9-12-30-57(48)70-58)39-18-13-21-42(34-39)68-53-29-11-8-23-45(53)51-36-50-44-22-7-10-28-52(44)67(54(50)37-55(51)68)41-19-5-2-6-20-41/h1-37H
InChIKeyIWOALRRAEKUQSF-UHFFFAOYSA-N
XLogP17.00
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.09
LogP ≤ 517.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

5-[3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362950
9-phenyl-2-[7-[9-[4-phenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 168768781
3-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 168767904
3-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768306
4-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163887704
9-[6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]carbazole
CID 169011026
5-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014926
4-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534355
5-[3-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014814
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(3-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542485
2-(4-dibenzofuran-2-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534556
3-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 166952314

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole (CID 169014557) is 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2cccc3c2oc2cc(-c4nc(-c5cccc(-n6c7ccccc7c7cc8c9ccccc9n(-c9ccccc9)c8cc76)c5)nc(-c5cccc6sc7ccccc7c56)n4)ccc23)cc1.
What is the InChIKey of 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is IWOALRRAEKUQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5OS/c1-3-16-38(17-4-1)43-25-14-26-47-46-33-32-40(35-56(46)69-60(43)47)62-64-61(65-63(66-62)49-27-15-31-58-59(49)48-24-9-12-30-57(48)70-58)39-18-13-21-42(34-39)68-53-29-11-8-23-45(53)51-36-50-44-22-7-10-28-52(44)67(54(50)37-55(51)68)41-19-5-2-6-20-41/h1-37H.
What are the key properties of 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 912.09 g/mol, XLogP of 17.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 169014557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).