2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole

C71H41N11O4S — CID 118563481

IUPAC2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(-n2c3ccncc3c3cc(-c4cc5c(cc4-c4nnc(-c6ccccc6)o4)sc4cc(-c6nnc(-c7ccccc7)o6)ncc45)ccc32)cc2c1oc1c(C)cc(-n3c4ccncc4c4ccc(-c5nnc(-c6ccccc6)o5)cc43)cc12
InChIInChI=1S/C71H41N11O4S/c1-38-26-45(30-51-52-31-46(27-39(2)65(52)83-64(38)51)82-59-22-24-72-35-54(59)47-20-18-44(29-61(47)82)69-78-75-66(84-69)40-12-6-3-7-13-40)81-58-21-19-43(28-49(58)55-36-73-25-23-60(55)81)48-32-50-56-37-74-57(71-80-77-68(86-71)42-16-10-5-11-17-42)34-63(56)87-62(50)33-53(48)70-79-76-67(85-70)41-14-8-4-9-15-41/h3-37H,1-2H3
InChIKeySSBOCHHOMMMRRO-UHFFFAOYSA-N
MW1144.25 g/mol
LogP17.77
Rot. Bonds9

About 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole

2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 118563481) has the molecular formula C71H41N11O4S and a molecular weight of 1144.25 g/mol. Its IUPAC name is 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID118563481
Molecular FormulaC71H41N11O4S
Molecular Weight1144.25 g/mol
Exact Mass1143.31
IUPAC Name2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(-n2c3ccncc3c3cc(-c4cc5c(cc4-c4nnc(-c6ccccc6)o4)sc4cc(-c6nnc(-c7ccccc7)o6)ncc45)ccc32)cc2c1oc1c(C)cc(-n3c4ccncc4c4ccc(-c5nnc(-c6ccccc6)o5)cc43)cc12
InChIInChI=1S/C71H41N11O4S/c1-38-26-45(30-51-52-31-46(27-39(2)65(52)83-64(38)51)82-59-22-24-72-35-54(59)47-20-18-44(29-61(47)82)69-78-75-66(84-69)40-12-6-3-7-13-40)81-58-21-19-43(28-49(58)55-36-73-25-23-60(55)81)48-32-50-56-37-74-57(71-80-77-68(86-71)42-16-10-5-11-17-42)34-63(56)87-62(50)33-53(48)70-79-76-67(85-70)41-14-8-4-9-15-41/h3-37H,1-2H3
InChIKeySSBOCHHOMMMRRO-UHFFFAOYSA-N
XLogP17.77
TPSA178.43 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001144.25
LogP ≤ 517.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole (CID 118563481) is 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole is Cc1cc(-n2c3ccncc3c3cc(-c4cc5c(cc4-c4nnc(-c6ccccc6)o4)sc4cc(-c6nnc(-c7ccccc7)o6)ncc45)ccc32)cc2c1oc1c(C)cc(-n3c4ccncc4c4ccc(-c5nnc(-c6ccccc6)o5)cc43)cc12.
What is the InChIKey of 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is SSBOCHHOMMMRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H41N11O4S/c1-38-26-45(30-51-52-31-46(27-39(2)65(52)83-64(38)51)82-59-22-24-72-35-54(59)47-20-18-44(29-61(47)82)69-78-75-66(84-69)40-12-6-3-7-13-40)81-58-21-19-43(28-49(58)55-36-73-25-23-60(55)81)48-32-50-56-37-74-57(71-80-77-68(86-71)42-16-10-5-11-17-42)34-63(56)87-62(50)33-53(48)70-79-76-67(85-70)41-14-8-4-9-15-41/h3-37H,1-2H3.
What are the key properties of 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole?
2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 1144.25 g/mol, XLogP of 17.77, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[8-[8-[3,7-bis(5-phenyl-1,3,4-oxadiazol-2-yl)-[1]benzothiolo[3,2-c]pyridin-8-yl]pyrido[4,3-b]indol-5-yl]-4,6-dimethyldibenzofuran-2-yl]pyrido[4,3-b]indol-7-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 118563481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).