6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

C102H57N11OS2 — CID 154931815

IUPAC6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c4c(cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(-n%10c%11ccccc%11c%11cccc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11%10)nccc9c8c7)ccc6n(-c6nccc7c6sc6ccccc67)c35)c3ccccc3n4-c3nccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C102H57N11OS2/c1-3-22-58(23-4-1)97-106-98(59-24-5-2-6-25-59)108-99(107-97)90-92-77(67-30-11-18-38-83(67)112(92)101-95-72(49-52-104-101)68-31-12-19-40-88(68)115-95)57-78-75-55-61(43-46-85(75)113(93(78)90)102-96-73(50-53-105-102)69-32-13-20-41-89(69)116-96)60-42-45-84-74(54-60)66-29-10-14-34-79(66)109(84)62-44-47-87-76(56-62)71-48-51-103-100(94(71)114-87)111-82-37-17-9-28-65(82)70-33-21-39-86(91(70)111)110-80-35-15-7-26-63(80)64-27-8-16-36-81(64)110/h1-57H
InChIKeyJHQYSAYSMRYSJL-UHFFFAOYSA-N
MW1516.79 g/mol
LogP26.85
Rot. Bonds9

About 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine

6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 154931815) has the molecular formula C102H57N11OS2 and a molecular weight of 1516.79 g/mol. Its IUPAC name is 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID154931815
Molecular FormulaC102H57N11OS2
Molecular Weight1516.79 g/mol
Exact Mass1515.42
IUPAC Name6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c4c(cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(-n%10c%11ccccc%11c%11cccc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11%10)nccc9c8c7)ccc6n(-c6nccc7c6sc6ccccc67)c35)c3ccccc3n4-c3nccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C102H57N11OS2/c1-3-22-58(23-4-1)97-106-98(59-24-5-2-6-25-59)108-99(107-97)90-92-77(67-30-11-18-38-83(67)112(92)101-95-72(49-52-104-101)68-31-12-19-40-88(68)115-95)57-78-75-55-61(43-46-85(75)113(93(78)90)102-96-73(50-53-105-102)69-32-13-20-41-89(69)116-96)60-42-45-84-74(54-60)66-29-10-14-34-79(66)109(84)62-44-47-87-76(56-62)71-48-51-103-100(94(71)114-87)111-82-37-17-9-28-65(82)70-33-21-39-86(91(70)111)110-80-35-15-7-26-63(80)64-27-8-16-36-81(64)110/h1-57H
InChIKeyJHQYSAYSMRYSJL-UHFFFAOYSA-N
XLogP26.85
TPSA115.13 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001516.79
LogP ≤ 526.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine (CID 154931815) is 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3c4c(cc5c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(-n%10c%11ccccc%11c%11cccc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11%10)nccc9c8c7)ccc6n(-c6nccc7c6sc6ccccc67)c35)c3ccccc3n4-c3nccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is JHQYSAYSMRYSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H57N11OS2/c1-3-22-58(23-4-1)97-106-98(59-24-5-2-6-25-59)108-99(107-97)90-92-77(67-30-11-18-38-83(67)112(92)101-95-72(49-52-104-101)68-31-12-19-40-88(68)115-95)57-78-75-55-61(43-46-85(75)113(93(78)90)102-96-73(50-53-105-102)69-32-13-20-41-89(69)116-96)60-42-45-84-74(54-60)66-29-10-14-34-79(66)109(84)62-44-47-87-76(56-62)71-48-51-103-100(94(71)114-87)111-82-37-17-9-28-65(82)70-33-21-39-86(91(70)111)110-80-35-15-7-26-63(80)64-27-8-16-36-81(64)110/h1-57H.
What are the key properties of 6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine?
6-[3-[5,7-bis([1]benzothiolo[2,3-c]pyridin-1-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine has a molecular weight of 1516.79 g/mol, XLogP of 26.85, 9 rotatable bonds, 0 hydrogen bond donors, and 14 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-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazol-2-yl]carbazol-9-yl]-1-(1-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 154931815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).