12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole

C54H32N2S2 — CID 146533062

IUPAC12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C54H32N2S2/c1-3-13-33(14-4-1)34-25-28-47-44(31-34)38-27-29-48-51(43-18-7-9-23-46(43)55(48)35-15-5-2-6-16-35)52(38)56(47)36-26-30-50-45(32-36)42-22-12-21-41(54(42)58-50)40-20-11-19-39-37-17-8-10-24-49(37)57-53(39)40/h1-32H
InChIKeyMKSGWYHCXZAUCY-UHFFFAOYSA-N
MW773.00 g/mol
LogP15.95
Rot. Bonds4

About 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole

12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole (PubChem CID 146533062) has the molecular formula C54H32N2S2 and a molecular weight of 773.00 g/mol. Its IUPAC name is 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
PubChem CID146533062
Molecular FormulaC54H32N2S2
Molecular Weight773.00 g/mol
Exact Mass772.20
IUPAC Name12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1
InChIInChI=1S/C54H32N2S2/c1-3-13-33(14-4-1)34-25-28-47-44(31-34)38-27-29-48-51(43-18-7-9-23-46(43)55(48)35-15-5-2-6-16-35)52(38)56(47)36-26-30-50-45(32-36)42-22-12-21-41(54(42)58-50)40-20-11-19-39-37-17-8-10-24-49(37)57-53(39)40/h1-32H
InChIKeyMKSGWYHCXZAUCY-UHFFFAOYSA-N
XLogP15.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.00
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5-naphthalen-1-yl-9-phenylindolo[3,2-c]carbazole
CID 146532925
7-(3-dibenzothiophen-4-ylphenyl)-5,12-diphenylindolo[3,2-a]carbazole;12-phenyl-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole;5-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 159461030
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
12-(6-dibenzofuran-4-yldibenzothiophen-2-yl)-9-phenyl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 146533258
12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(3-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(8-fluorodibenzothiophen-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 159576095
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
5-(3-dibenzothiophen-2-ylphenyl)-12-phenylindolo[3,2-c]carbazole
CID 118504656
12-dibenzothiophen-2-yl-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598840
12-dibenzothiophen-2-yl-5-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414705
5,12-bis(3-dibenzothiophen-4-ylphenyl)indolo[3,2-c]carbazole
CID 172515282
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848

Frequently Asked Questions

What is the IUPAC name of 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole (CID 146533062) is 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole is c1ccc(-c2ccc3c(c2)c2ccc4c(c5ccccc5n4-c4ccccc4)c2n3-c2ccc3sc4c(-c5cccc6c5sc5ccccc56)cccc4c3c2)cc1.
What is the InChIKey of 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole?
The InChIKey is MKSGWYHCXZAUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2S2/c1-3-13-33(14-4-1)34-25-28-47-44(31-34)38-27-29-48-51(43-18-7-9-23-46(43)55(48)35-15-5-2-6-16-35)52(38)56(47)36-26-30-50-45(32-36)42-22-12-21-41(54(42)58-50)40-20-11-19-39-37-17-8-10-24-49(37)57-53(39)40/h1-32H.
What are the key properties of 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole?
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole has a molecular weight of 773.00 g/mol, XLogP of 15.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole is sourced from PubChem (CID 146533062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).