9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole

C78H44N2O2S2 — CID 58038521

IUPAC9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
SMILESc1cc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C78H44N2O2S2/c1-5-16-67-55(12-1)56-13-2-6-17-68(56)79(67)53-26-34-77-65(43-53)63-41-51(24-32-75(63)83-77)49-22-30-73-61(39-49)59-37-47(20-28-71(59)81-73)45-10-9-11-46(36-45)48-21-29-72-60(38-48)62-40-50(23-31-74(62)82-72)52-25-33-76-64(42-52)66-44-54(27-35-78(66)84-76)80-69-18-7-3-14-57(69)58-15-4-8-19-70(58)80/h1-44H
InChIKeyONXSXOSOZUJAEI-UHFFFAOYSA-N
MW1105.36 g/mol
LogP23.08
Rot. Bonds6

About 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole

9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 58038521) has the molecular formula C78H44N2O2S2 and a molecular weight of 1105.36 g/mol. Its IUPAC name is 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
PubChem CID58038521
Molecular FormulaC78H44N2O2S2
Molecular Weight1105.36 g/mol
Exact Mass1104.28
IUPAC Name9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
SMILESc1cc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)c1
InChIInChI=1S/C78H44N2O2S2/c1-5-16-67-55(12-1)56-13-2-6-17-68(56)79(67)53-26-34-77-65(43-53)63-41-51(24-32-75(63)83-77)49-22-30-73-61(39-49)59-37-47(20-28-71(59)81-73)45-10-9-11-46(36-45)48-21-29-72-60(38-48)62-40-50(23-31-74(62)82-72)52-25-33-76-64(42-52)66-44-54(27-35-78(66)84-76)80-69-18-7-3-14-57(69)58-15-4-8-19-70(58)80/h1-44H
InChIKeyONXSXOSOZUJAEI-UHFFFAOYSA-N
XLogP23.08
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.36
LogP ≤ 523.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole (CID 58038521) is 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole is c1cc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)cc(-c2ccc3oc4ccc(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)cc4c3c2)c1.
What is the InChIKey of 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is ONXSXOSOZUJAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H44N2O2S2/c1-5-16-67-55(12-1)56-13-2-6-17-68(56)79(67)53-26-34-77-65(43-53)63-41-51(24-32-75(63)83-77)49-22-30-73-61(39-49)59-37-47(20-28-71(59)81-73)45-10-9-11-46(36-45)48-21-29-72-60(38-48)62-40-50(23-31-74(62)82-72)52-25-33-76-64(42-52)66-44-54(27-35-78(66)84-76)80-69-18-7-3-14-57(69)58-15-4-8-19-70(58)80/h1-44H.
What are the key properties of 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole?
9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 1105.36 g/mol, XLogP of 23.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[8-[8-[3-[8-(8-carbazol-9-yldibenzothiophen-2-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 58038521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).