6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine

C70H40N6OS — CID 91557830

IUPAC6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ncc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)ccc54)cc3c2c1
InChIInChI=1S/C70H40N6OS/c1-7-19-59-47(13-1)48-14-2-8-20-60(48)73(59)43-27-31-67-55(35-43)57-37-45(39-71-69(57)77-67)76-64-24-12-6-18-52(64)54-34-42(26-30-66(54)76)41-25-29-65-53(33-41)51-17-5-11-23-63(51)74(65)44-28-32-68-56(36-44)58-38-46(40-72-70(58)78-68)75-61-21-9-3-15-49(61)50-16-4-10-22-62(50)75/h1-40H
InChIKeyMUVAEOAUPUPZQS-UHFFFAOYSA-N
MW1013.20 g/mol
LogP18.80
Rot. Bonds5

About 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine

6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 91557830) has the molecular formula C70H40N6OS and a molecular weight of 1013.20 g/mol. Its IUPAC name is 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID91557830
Molecular FormulaC70H40N6OS
Molecular Weight1013.20 g/mol
Exact Mass1012.30
IUPAC Name6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ncc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)ccc54)cc3c2c1
InChIInChI=1S/C70H40N6OS/c1-7-19-59-47(13-1)48-14-2-8-20-60(48)73(59)43-27-31-67-55(35-43)57-37-45(39-71-69(57)77-67)76-64-24-12-6-18-52(64)54-34-42(26-30-66(54)76)41-25-29-65-53(33-41)51-17-5-11-23-63(51)74(65)44-28-32-68-56(36-44)58-38-46(40-72-70(58)78-68)75-61-21-9-3-15-49(61)50-16-4-10-22-62(50)75/h1-40H
InChIKeyMUVAEOAUPUPZQS-UHFFFAOYSA-N
XLogP18.80
TPSA58.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.20
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine (CID 91557830) is 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ncc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)ccc54)cc3c2c1.
What is the InChIKey of 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MUVAEOAUPUPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H40N6OS/c1-7-19-59-47(13-1)48-14-2-8-20-60(48)73(59)43-27-31-67-55(35-43)57-37-45(39-71-69(57)77-67)76-64-24-12-6-18-52(64)54-34-42(26-30-66(54)76)41-25-29-65-53(33-41)51-17-5-11-23-63(51)74(65)44-28-32-68-56(36-44)58-38-46(40-72-70(58)78-68)75-61-21-9-3-15-49(61)50-16-4-10-22-62(50)75/h1-40H.
What are the key properties of 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine?
6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1013.20 g/mol, XLogP of 18.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-3-[3-[9-(3-carbazol-9-yl-[1]benzothiolo[2,3-b]pyridin-6-yl)carbazol-3-yl]carbazol-9-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 91557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).