5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C82H40N8O4S2 — CID 139539133

IUPAC5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)Oc3cccc5nc(-n6c7ccccc7c7cc8sc(-c9ccc%10c(c9)-c9nc(-n%11c%12ccccc%12c%12c%13ccsc%13ccc%12%11)nc%11cccc(c9%11)O%10)cc8cc76)nc-4c35)cc3nc(-c4ccc5oc6ccccc6c5c4)nc-2c13
InChIInChI=1S/C82H40N8O4S2/c1-5-17-58-46(11-1)52-40-72-45(39-71(96-72)42-24-28-65-54(33-42)79-75-56(16-9-21-66(75)92-65)84-81(88-79)89-59-18-6-2-13-48(59)73-51-31-32-95-70(51)30-27-60(73)89)36-61(52)90(58)82-85-55-15-10-22-67-74(55)78(87-82)50-26-23-41(37-68(50)94-67)44-35-57-76-69(38-44)93-63-20-8-4-14-49(63)77(76)86-80(83-57)43-25-29-64-53(34-43)47-12-3-7-19-62(47)91-64/h1-40H
InChIKeyRWVVTRBMIGUXRY-UHFFFAOYSA-N
MW1265.41 g/mol
LogP22.36
Rot. Bonds5

About 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 139539133) has the molecular formula C82H40N8O4S2 and a molecular weight of 1265.41 g/mol. Its IUPAC name is 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

Compound Name5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
PubChem CID139539133
Molecular FormulaC82H40N8O4S2
Molecular Weight1265.41 g/mol
Exact Mass1264.26
IUPAC Name5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)Oc3cccc5nc(-n6c7ccccc7c7cc8sc(-c9ccc%10c(c9)-c9nc(-n%11c%12ccccc%12c%12c%13ccsc%13ccc%12%11)nc%11cccc(c9%11)O%10)cc8cc76)nc-4c35)cc3nc(-c4ccc5oc6ccccc6c5c4)nc-2c13
InChIInChI=1S/C82H40N8O4S2/c1-5-17-58-46(11-1)52-40-72-45(39-71(96-72)42-24-28-65-54(33-42)79-75-56(16-9-21-66(75)92-65)84-81(88-79)89-59-18-6-2-13-48(59)73-51-31-32-95-70(51)30-27-60(73)89)36-61(52)90(58)82-85-55-15-10-22-67-74(55)78(87-82)50-26-23-41(37-68(50)94-67)44-35-57-76-69(38-44)93-63-20-8-4-14-49(63)77(76)86-80(83-57)43-25-29-64-53(34-43)47-12-3-7-19-62(47)91-64/h1-40H
InChIKeyRWVVTRBMIGUXRY-UHFFFAOYSA-N
XLogP22.36
TPSA128.03 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.41
LogP ≤ 522.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The IUPAC name of 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 139539133) is 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.
What is the SMILES notation for 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The canonical SMILES for 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is c1ccc2c(c1)Oc1cc(-c3ccc4c(c3)Oc3cccc5nc(-n6c7ccccc7c7cc8sc(-c9ccc%10c(c9)-c9nc(-n%11c%12ccccc%12c%12c%13ccsc%13ccc%12%11)nc%11cccc(c9%11)O%10)cc8cc76)nc-4c35)cc3nc(-c4ccc5oc6ccccc6c5c4)nc-2c13.
What is the InChIKey of 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The InChIKey is RWVVTRBMIGUXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H40N8O4S2/c1-5-17-58-46(11-1)52-40-72-45(39-71(96-72)42-24-28-65-54(33-42)79-75-56(16-9-21-66(75)92-65)84-81(88-79)89-59-18-6-2-13-48(59)73-51-31-32-95-70(51)30-27-60(73)89)36-61(52)90(58)82-85-55-15-10-22-67-74(55)78(87-82)50-26-23-41(37-68(50)94-67)44-35-57-76-69(38-44)93-63-20-8-4-14-49(63)77(76)86-80(83-57)43-25-29-64-53(34-43)47-12-3-7-19-62(47)91-64/h1-40H.
What are the key properties of 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 1265.41 g/mol, XLogP of 22.36, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(15-dibenzofuran-2-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-11-yl)-15-[2-(15-thieno[2,3-c]carbazol-6-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)thieno[3,2-b]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 139539133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).