6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine

C93H52N8S3 — CID 154931814

IUPAC6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2c3c(cc4c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8c(-n9c%10ccccc%10c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%109)nccc8c7c6)cccc5n(-c5nccc6c5sc5ccccc56)c24)c2ccccc2n3-c2nccc3c2sc2ccccc23)cc1
InChIInChI=1S/C93H52N8S3/c1-2-20-53(21-3-1)83-86-70(61-26-8-15-35-76(61)100(86)92-88-65(44-47-95-92)62-27-9-16-38-80(62)102-88)52-71-84-56(29-18-36-78(84)101(87(71)83)93-89-66(45-48-96-93)63-28-10-17-39-81(63)103-89)54-40-42-77-68(50-54)60-25-7-11-31-72(60)97(77)55-41-43-82-69(51-55)67-46-49-94-91(90(67)104-82)99-75-34-14-6-24-59(75)64-30-19-37-79(85(64)99)98-73-32-12-4-22-57(73)58-23-5-13-33-74(58)98/h1-52H
InChIKeyFKNSJSRBYYSQML-UHFFFAOYSA-N
MW1377.70 g/mol
LogP25.79
Rot. Bonds7

About 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine

6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine (PubChem CID 154931814) has the molecular formula C93H52N8S3 and a molecular weight of 1377.70 g/mol. Its IUPAC name is 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
PubChem CID154931814
Molecular FormulaC93H52N8S3
Molecular Weight1377.70 g/mol
Exact Mass1376.35
IUPAC Name6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2c3c(cc4c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8c(-n9c%10ccccc%10c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%109)nccc8c7c6)cccc5n(-c5nccc6c5sc5ccccc56)c24)c2ccccc2n3-c2nccc3c2sc2ccccc23)cc1
InChIInChI=1S/C93H52N8S3/c1-2-20-53(21-3-1)83-86-70(61-26-8-15-35-76(61)100(86)92-88-65(44-47-95-92)62-27-9-16-38-80(62)102-88)52-71-84-56(29-18-36-78(84)101(87(71)83)93-89-66(45-48-96-93)63-28-10-17-39-81(63)103-89)54-40-42-77-68(50-54)60-25-7-11-31-72(60)97(77)55-41-43-82-69(51-55)67-46-49-94-91(90(67)104-82)99-75-34-14-6-24-59(75)64-30-19-37-79(85(64)99)98-73-32-12-4-22-57(73)58-23-5-13-33-74(58)98/h1-52H
InChIKeyFKNSJSRBYYSQML-UHFFFAOYSA-N
XLogP25.79
TPSA63.32 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.70
LogP ≤ 525.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine (CID 154931814) is 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2c3c(cc4c5c(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8c(-n9c%10ccccc%10c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%109)nccc8c7c6)cccc5n(-c5nccc6c5sc5ccccc56)c24)c2ccccc2n3-c2nccc3c2sc2ccccc23)cc1.
What is the InChIKey of 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is FKNSJSRBYYSQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H52N8S3/c1-2-20-53(21-3-1)83-86-70(61-26-8-15-35-76(61)100(86)92-88-65(44-47-95-92)62-27-9-16-38-80(62)102-88)52-71-84-56(29-18-36-78(84)101(87(71)83)93-89-66(45-48-96-93)63-28-10-17-39-81(63)103-89)54-40-42-77-68(50-54)60-25-7-11-31-72(60)97(77)55-41-43-82-69(51-55)67-46-49-94-91(90(67)104-82)99-75-34-14-6-24-59(75)64-30-19-37-79(85(64)99)98-73-32-12-4-22-57(73)58-23-5-13-33-74(58)98/h1-52H.
What are the key properties of 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine?
6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 1377.70 g/mol, XLogP of 25.79, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-phenylindolo[2,3-b]carbazol-1-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 154931814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).