3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole

C180H109N3O5S2 — CID 157117885

IUPAC3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.c1ccc(-c2cccc(-n3c4ccc(-c5cccc(-c6ccc7oc8ccc(-c9ccc%10sc%11ccc(-c%12cccc%13oc%14ccccc%14c%12%13)cc%11c%10c9)cc8c7c6)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5cccc(-c6ccc7oc8ccc(-c9ccccc9)cc8c7c6)c5)ccc43)c2)cc1
InChIInChI=1S/C78H45NO2S2.C54H35NO.C48H29NO2/c1-2-11-46(12-3-1)49-15-9-16-57(38-49)79-68-30-23-50(39-61(68)62-40-51(24-31-69(62)79)54-27-34-75-65(43-54)59-17-5-7-22-74(59)82-75)47-13-8-14-48(37-47)52-25-32-71-63(41-52)64-42-53(26-33-72(64)80-71)55-28-35-76-66(44-55)67-45-56(29-36-77(67)83-76)58-19-10-21-73-78(58)60-18-4-6-20-70(60)81-73;1-4-12-36(13-5-1)41-20-11-21-46(31-41)55-51-26-22-42(37-14-6-2-7-15-37)32-47(51)48-33-44(23-27-52(48)55)39-18-10-19-40(30-39)45-25-29-54-50(35-45)49-34-43(24-28-53(49)56-54)38-16-8-3-9-17-38;1-4-16-43-37(11-1)41-28-33(31-9-7-10-32(27-31)34-22-26-47-42(29-34)39-13-3-5-17-45(39)50-47)21-25-44(41)49(43)35-23-19-30(20-24-35)36-14-8-15-40-38-12-2-6-18-46(38)51-48(36)40/h1-45H;1-35H;1-29H
InChIKeyAHPRFKQMYUEARF-UHFFFAOYSA-N
MW2458.00 g/mol
LogP51.92
Rot. Bonds17

About 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole

3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole (PubChem CID 157117885) has the molecular formula C180H109N3O5S2 and a molecular weight of 2458.00 g/mol. Its IUPAC name is 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
PubChem CID157117885
Molecular FormulaC180H109N3O5S2
Molecular Weight2458.00 g/mol
Exact Mass2455.78
IUPAC Name3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.c1ccc(-c2cccc(-n3c4ccc(-c5cccc(-c6ccc7oc8ccc(-c9ccc%10sc%11ccc(-c%12cccc%13oc%14ccccc%14c%12%13)cc%11c%10c9)cc8c7c6)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5cccc(-c6ccc7oc8ccc(-c9ccccc9)cc8c7c6)c5)ccc43)c2)cc1
InChIInChI=1S/C78H45NO2S2.C54H35NO.C48H29NO2/c1-2-11-46(12-3-1)49-15-9-16-57(38-49)79-68-30-23-50(39-61(68)62-40-51(24-31-69(62)79)54-27-34-75-65(43-54)59-17-5-7-22-74(59)82-75)47-13-8-14-48(37-47)52-25-32-71-63(41-52)64-42-53(26-33-72(64)80-71)55-28-35-76-66(44-55)67-45-56(29-36-77(67)83-76)58-19-10-21-73-78(58)60-18-4-6-20-70(60)81-73;1-4-12-36(13-5-1)41-20-11-21-46(31-41)55-51-26-22-42(37-14-6-2-7-15-37)32-47(51)48-33-44(23-27-52(48)55)39-18-10-19-40(30-39)45-25-29-54-50(35-45)49-34-43(24-28-53(49)56-54)38-16-8-3-9-17-38;1-4-16-43-37(11-1)41-28-33(31-9-7-10-32(27-31)34-22-26-47-42(29-34)39-13-3-5-17-45(39)50-47)21-25-44(41)49(43)35-23-19-30(20-24-35)36-14-8-15-40-38-12-2-6-18-46(38)51-48(36)40/h1-45H;1-35H;1-29H
InChIKeyAHPRFKQMYUEARF-UHFFFAOYSA-N
XLogP51.92
TPSA80.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms190
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002458.00
LogP ≤ 551.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole (CID 157117885) is 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole is c1cc(-c2ccc3oc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.c1ccc(-c2cccc(-n3c4ccc(-c5cccc(-c6ccc7oc8ccc(-c9ccc%10sc%11ccc(-c%12cccc%13oc%14ccccc%14c%12%13)cc%11c%10c9)cc8c7c6)c5)cc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2cccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5cccc(-c6ccc7oc8ccc(-c9ccccc9)cc8c7c6)c5)ccc43)c2)cc1.
What is the InChIKey of 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole?
The InChIKey is AHPRFKQMYUEARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H45NO2S2.C54H35NO.C48H29NO2/c1-2-11-46(12-3-1)49-15-9-16-57(38-49)79-68-30-23-50(39-61(68)62-40-51(24-31-69(62)79)54-27-34-75-65(43-54)59-17-5-7-22-74(59)82-75)47-13-8-14-48(37-47)52-25-32-71-63(41-52)64-42-53(26-33-72(64)80-71)55-28-35-76-66(44-55)67-45-56(29-36-77(67)83-76)58-19-10-21-73-78(58)60-18-4-6-20-70(60)81-73;1-4-12-36(13-5-1)41-20-11-21-46(31-41)55-51-26-22-42(37-14-6-2-7-15-37)32-47(51)48-33-44(23-27-52(48)55)39-18-10-19-40(30-39)45-25-29-54-50(35-45)49-34-43(24-28-53(49)56-54)38-16-8-3-9-17-38;1-4-16-43-37(11-1)41-28-33(31-9-7-10-32(27-31)34-22-26-47-42(29-34)39-13-3-5-17-45(39)50-47)21-25-44(41)49(43)35-23-19-30(20-24-35)36-14-8-15-40-38-12-2-6-18-46(38)51-48(36)40/h1-45H;1-35H;1-29H.
What are the key properties of 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole?
3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole has a molecular weight of 2458.00 g/mol, XLogP of 51.92, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[8-(8-dibenzofuran-1-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]-6-dibenzothiophen-2-yl-9-(3-phenylphenyl)carbazole;3-(3-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole;3-phenyl-6-[3-(8-phenyldibenzofuran-2-yl)phenyl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 157117885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).