6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline

C90H48N2O4S2 — CID 138661726

IUPAC6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc2c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccc(-c6cccc7oc8c(-c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)c9ccccc9nc8c67)cc45)c3)c3oc4ccccc4c3nc2c1
InChIInChI=1S/C90H48N2O4S2/c1-7-27-72-66(19-1)82(87-85(91-72)68-21-5-11-31-76(68)95-87)57-44-54(59-23-13-25-64-63-18-6-12-33-80(63)97-89(59)64)43-55(45-57)60-24-14-26-65-71-48-51(36-39-81(71)98-90(60)65)58-22-15-32-79-84(58)86-88(96-79)83(67-20-2-8-28-73(67)92-86)56-41-52(49-34-37-77-69(46-49)61-16-3-9-29-74(61)93-77)40-53(42-56)50-35-38-78-70(47-50)62-17-4-10-30-75(62)94-78/h1-48H
InChIKeyMDJZITJHNNXTRK-UHFFFAOYSA-N
MW1285.52 g/mol
LogP26.79
Rot. Bonds7

About 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline

6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline (PubChem CID 138661726) has the molecular formula C90H48N2O4S2 and a molecular weight of 1285.52 g/mol. Its IUPAC name is 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline.

Molecular Properties

Compound Name6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline
PubChem CID138661726
Molecular FormulaC90H48N2O4S2
Molecular Weight1285.52 g/mol
Exact Mass1284.31
IUPAC Name6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline
SMILESc1ccc2c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccc(-c6cccc7oc8c(-c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)c9ccccc9nc8c67)cc45)c3)c3oc4ccccc4c3nc2c1
InChIInChI=1S/C90H48N2O4S2/c1-7-27-72-66(19-1)82(87-85(91-72)68-21-5-11-31-76(68)95-87)57-44-54(59-23-13-25-64-63-18-6-12-33-80(63)97-89(59)64)43-55(45-57)60-24-14-26-65-71-48-51(36-39-81(71)98-90(60)65)58-22-15-32-79-84(58)86-88(96-79)83(67-20-2-8-28-73(67)92-86)56-41-52(49-34-37-77-69(46-49)61-16-3-9-29-74(61)93-77)40-53(42-56)50-35-38-78-70(47-50)62-17-4-10-30-75(62)94-78/h1-48H
InChIKeyMDJZITJHNNXTRK-UHFFFAOYSA-N
XLogP26.79
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001285.52
LogP ≤ 526.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline?
The IUPAC name of 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline (CID 138661726) is 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline.
What is the SMILES notation for 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline?
The canonical SMILES for 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline is c1ccc2c(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccc(-c6cccc7oc8c(-c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)c9ccccc9nc8c67)cc45)c3)c3oc4ccccc4c3nc2c1.
What is the InChIKey of 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline?
The InChIKey is MDJZITJHNNXTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H48N2O4S2/c1-7-27-72-66(19-1)82(87-85(91-72)68-21-5-11-31-76(68)95-87)57-44-54(59-23-13-25-64-63-18-6-12-33-80(63)97-89(59)64)43-55(45-57)60-24-14-26-65-71-48-51(36-39-81(71)98-90(60)65)58-22-15-32-79-84(58)86-88(96-79)83(67-20-2-8-28-73(67)92-86)56-41-52(49-34-37-77-69(46-49)61-16-3-9-29-74(61)93-77)40-53(42-56)50-35-38-78-70(47-50)62-17-4-10-30-75(62)94-78/h1-48H.
What are the key properties of 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline?
6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline has a molecular weight of 1285.52 g/mol, XLogP of 26.79, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-([1]benzofuro[3,2-b]quinolin-11-yl)-5-dibenzothiophen-4-ylphenyl]dibenzothiophen-2-yl]-11-[3,5-di(dibenzofuran-2-yl)phenyl]-[1]benzofuro[3,2-b]quinoline is sourced from PubChem (CID 138661726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).