5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

C78H42N4O2S2 — CID 138661471

IUPAC5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c3c(nc2c1)sc1cc(-c2ccc4c(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5)c5c(nc4c2)sc2ccccc25)ccc13
InChIInChI=1S/C78H42N4O2S2/c1-7-19-60-55(16-1)69(43-25-31-47(32-26-43)81-63-21-9-3-17-57(63)71-64(81)40-39-53-50-14-4-10-22-65(50)83-75(53)71)73-59-36-30-46(42-68(59)86-77(73)79-60)45-29-35-56-61(41-45)80-78-72(58-18-6-12-24-67(58)85-78)70(56)44-27-33-48(34-28-44)82-62-20-8-2-13-49(62)52-37-38-54-51-15-5-11-23-66(51)84-76(54)74(52)82/h1-42H
InChIKeyMBOMINNPNSIOAT-UHFFFAOYSA-N
MW1131.35 g/mol
LogP22.51
Rot. Bonds5

About 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 138661471) has the molecular formula C78H42N4O2S2 and a molecular weight of 1131.35 g/mol. Its IUPAC name is 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID138661471
Molecular FormulaC78H42N4O2S2
Molecular Weight1131.35 g/mol
Exact Mass1130.27
IUPAC Name5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c3c(nc2c1)sc1cc(-c2ccc4c(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5)c5c(nc4c2)sc2ccccc25)ccc13
InChIInChI=1S/C78H42N4O2S2/c1-7-19-60-55(16-1)69(43-25-31-47(32-26-43)81-63-21-9-3-17-57(63)71-64(81)40-39-53-50-14-4-10-22-65(50)83-75(53)71)73-59-36-30-46(42-68(59)86-77(73)79-60)45-29-35-56-61(41-45)80-78-72(58-18-6-12-24-67(58)85-78)70(56)44-27-33-48(34-28-44)82-62-20-8-2-13-49(62)52-37-38-54-51-15-5-11-23-66(51)84-76(54)74(52)82/h1-42H
InChIKeyMBOMINNPNSIOAT-UHFFFAOYSA-N
XLogP22.51
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.35
LogP ≤ 522.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 138661471) is 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc2c(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)c3c(nc2c1)sc1cc(-c2ccc4c(-c5ccc(-n6c7ccccc7c7ccc8c9ccccc9oc8c76)cc5)c5c(nc4c2)sc2ccccc25)ccc13.
What is the InChIKey of 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is MBOMINNPNSIOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H42N4O2S2/c1-7-19-60-55(16-1)69(43-25-31-47(32-26-43)81-63-21-9-3-17-57(63)71-64(81)40-39-53-50-14-4-10-22-65(50)83-75(53)71)73-59-36-30-46(42-68(59)86-77(73)79-60)45-29-35-56-61(41-45)80-78-72(58-18-6-12-24-67(58)85-78)70(56)44-27-33-48(34-28-44)82-62-20-8-2-13-49(62)52-37-38-54-51-15-5-11-23-66(51)84-76(54)74(52)82/h1-42H.
What are the key properties of 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1131.35 g/mol, XLogP of 22.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[11-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-b]quinolin-8-yl]-[1]benzothiolo[2,3-b]quinolin-11-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 138661471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).