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

C83H46N4O2S2 — CID 145421866

IUPAC8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline
SMILESc1ccc2c(-c3cc(-c4ccc5oc6cccnc6c5c4)cc(-c4ccc5oc6cccnc6c5c4)c3)c3sc4ccccc4c3nc2c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4nc4c3sc3ccccc34)cc21
InChIInChI=1S/C43H23N3O2S.C40H23NS/c1-3-9-33-29(7-1)39(43-42(46-33)30-8-2-4-12-38(30)49-43)28-20-26(24-13-15-34-31(22-24)40-36(47-34)10-5-17-44-40)19-27(21-28)25-14-16-35-32(23-25)41-37(48-35)11-6-18-45-41;1-6-16-31-25(11-1)26-12-2-7-17-32(26)40(31)33-18-8-3-13-27(33)28-22-21-24(23-34(28)40)37-29-14-4-9-19-35(29)41-38-30-15-5-10-20-36(30)42-39(37)38/h1-23H;1-23H
InChIKeyHJMNWBMVHLMDNY-UHFFFAOYSA-N
MW1195.44 g/mol
LogP22.81
Rot. Bonds4

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

8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline (PubChem CID 145421866) has the molecular formula C83H46N4O2S2 and a molecular weight of 1195.44 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]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline.

Molecular Properties

Compound Name8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline
PubChem CID145421866
Molecular FormulaC83H46N4O2S2
Molecular Weight1195.44 g/mol
Exact Mass1194.31
IUPAC Name8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline
SMILESc1ccc2c(-c3cc(-c4ccc5oc6cccnc6c5c4)cc(-c4ccc5oc6cccnc6c5c4)c3)c3sc4ccccc4c3nc2c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4nc4c3sc3ccccc34)cc21
InChIInChI=1S/C43H23N3O2S.C40H23NS/c1-3-9-33-29(7-1)39(43-42(46-33)30-8-2-4-12-38(30)49-43)28-20-26(24-13-15-34-31(22-24)40-36(47-34)10-5-17-44-40)19-27(21-28)25-14-16-35-32(23-25)41-37(48-35)11-6-18-45-41;1-6-16-31-25(11-1)26-12-2-7-17-32(26)40(31)33-18-8-3-13-27(33)28-22-21-24(23-34(28)40)37-29-14-4-9-19-35(29)41-38-30-15-5-10-20-36(30)42-39(37)38/h1-23H;1-23H
InChIKeyHJMNWBMVHLMDNY-UHFFFAOYSA-N
XLogP22.81
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.44
LogP ≤ 522.81
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]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline with MolForge

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Related Compounds

8-[15,15-Bis(1-benzofuran-2-yl)-22-(1-benzothiophen-2-yl)-5,5,25,25-tetramethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]quinoline
CID 59413470
8-[3-(3-Dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850008
8-[3-[3-(3-Dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850021
8-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850168
8-[3-[3-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850228
8-[3-[3-[8-[9-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 89850231
8-[3-[3-[8-[3-[3-([1]Benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90084677
8-[6-[8-([1]Benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 90250417
8-[3-[3-[8-([1]Benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90250418
8-[6-[8-([1]Benzothiolo[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 90250485
8-[3-(8-Dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90250492
8-[3-[3-[3-([1]Benzothiolo[3,2-b]pyridin-8-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265541

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]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline?
The IUPAC name of 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline (CID 145421866) is 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline.
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]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline?
The canonical SMILES for 8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline is c1ccc2c(-c3cc(-c4ccc5oc6cccnc6c5c4)cc(-c4ccc5oc6cccnc6c5c4)c3)c3sc4ccccc4c3nc2c1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4nc4c3sc3ccccc34)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]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline?
The InChIKey is HJMNWBMVHLMDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H23N3O2S.C40H23NS/c1-3-9-33-29(7-1)39(43-42(46-33)30-8-2-4-12-38(30)49-43)28-20-26(24-13-15-34-31(22-24)40-36(47-34)10-5-17-44-40)19-27(21-28)25-14-16-35-32(23-25)41-37(48-35)11-6-18-45-41;1-6-16-31-25(11-1)26-12-2-7-17-32(26)40(31)33-18-8-3-13-27(33)28-22-21-24(23-34(28)40)37-29-14-4-9-19-35(29)41-38-30-15-5-10-20-36(30)42-39(37)38/h1-23H;1-23H.
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]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline?
8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)-5-([1]benzothiolo[3,2-b]quinolin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline has a molecular weight of 1195.44 g/mol, XLogP of 22.81, 4 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]-[1]benzofuro[3,2-b]pyridine;11-(9,9'-spirobi[fluorene]-2-yl)-[1]benzothiolo[3,2-b]quinoline is sourced from PubChem (CID 145421866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).