8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine

C83H44N4O2S2 — CID 138661405

IUPAC8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4nc4c3sc3ccc(-c5cnc6c(c5)oc5ccc(-c7cc(-c8ccc9oc%10cccnc%10c9c8)cc(-c8c9ccccc9nc9c8sc8ccccc89)c7)cc56)cc34)cc21
InChIInChI=1S/C83H44N4O2S2/c1-7-20-63-53(14-1)54-15-2-8-21-64(54)83(63)65-22-9-3-16-55(65)56-31-27-48(42-66(56)83)75-57-17-4-10-23-67(57)87-80-62-41-47(30-34-74(62)91-81(75)80)52-43-72-78(85-44-52)61-40-46(29-33-70(61)89-72)50-36-49(45-28-32-69-60(39-45)77-71(88-69)25-13-35-84-77)37-51(38-50)76-58-18-5-11-24-68(58)86-79-59-19-6-12-26-73(59)90-82(76)79/h1-44H
InChIKeyKZIYTZCHIJWNLY-UHFFFAOYSA-N
MW1193.42 g/mol
LogP22.79
Rot. Bonds5

About 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine

8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 138661405) has the molecular formula C83H44N4O2S2 and a molecular weight of 1193.42 g/mol. Its IUPAC name is 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID138661405
Molecular FormulaC83H44N4O2S2
Molecular Weight1193.42 g/mol
Exact Mass1192.29
IUPAC Name8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4nc4c3sc3ccc(-c5cnc6c(c5)oc5ccc(-c7cc(-c8ccc9oc%10cccnc%10c9c8)cc(-c8c9ccccc9nc9c8sc8ccccc89)c7)cc56)cc34)cc21
InChIInChI=1S/C83H44N4O2S2/c1-7-20-63-53(14-1)54-15-2-8-21-64(54)83(63)65-22-9-3-16-55(65)56-31-27-48(42-66(56)83)75-57-17-4-10-23-67(57)87-80-62-41-47(30-34-74(62)91-81(75)80)52-43-72-78(85-44-52)61-40-46(29-33-70(61)89-72)50-36-49(45-28-32-69-60(39-45)77-71(88-69)25-13-35-84-77)37-51(38-50)76-58-18-5-11-24-68(58)86-79-59-19-6-12-26-73(59)90-82(76)79/h1-44H
InChIKeyKZIYTZCHIJWNLY-UHFFFAOYSA-N
XLogP22.79
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.42
LogP ≤ 522.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine (CID 138661405) is 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4nc4c3sc3ccc(-c5cnc6c(c5)oc5ccc(-c7cc(-c8ccc9oc%10cccnc%10c9c8)cc(-c8c9ccccc9nc9c8sc8ccccc89)c7)cc56)cc34)cc21.
What is the InChIKey of 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is KZIYTZCHIJWNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H44N4O2S2/c1-7-20-63-53(14-1)54-15-2-8-21-64(54)83(63)65-22-9-3-16-55(65)56-31-27-48(42-66(56)83)75-57-17-4-10-23-67(57)87-80-62-41-47(30-34-74(62)91-81(75)80)52-43-72-78(85-44-52)61-40-46(29-33-70(61)89-72)50-36-49(45-28-32-69-60(39-45)77-71(88-69)25-13-35-84-77)37-51(38-50)76-58-18-5-11-24-68(58)86-79-59-19-6-12-26-73(59)90-82(76)79/h1-44H.
What are the key properties of 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine?
8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1193.42 g/mol, XLogP of 22.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-3-[11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinolin-7-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 138661405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).