4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine

C88H52N10OS — CID 155039363

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccnc%11sc%12ccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)cc%12c%10%11)n9)cc8)ccc6n7-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C88H52N10OS/c1-6-18-54(19-7-1)81-91-82(55-20-8-2-9-21-55)94-85(93-81)66-44-46-89-87-79(66)71-51-61(37-42-77(71)99-87)60-36-41-76-70(50-60)69-48-58(34-39-75(69)98(76)64-26-14-5-15-27-64)53-30-32-57(33-31-53)84-92-83(56-22-10-3-11-23-56)95-86(96-84)67-45-47-90-88-80(67)72-52-62(38-43-78(72)100-88)59-35-40-74-68(49-59)65-28-16-17-29-73(65)97(74)63-24-12-4-13-25-63/h1-52H
InChIKeyALAADWWLZRUTGJ-UHFFFAOYSA-N
MW1297.52 g/mol
LogP22.31
Rot. Bonds11

About 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine (PubChem CID 155039363) has the molecular formula C88H52N10OS and a molecular weight of 1297.52 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine
PubChem CID155039363
Molecular FormulaC88H52N10OS
Molecular Weight1297.52 g/mol
Exact Mass1296.40
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccnc%11sc%12ccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)cc%12c%10%11)n9)cc8)ccc6n7-c6ccccc6)cc5c34)n2)cc1
InChIInChI=1S/C88H52N10OS/c1-6-18-54(19-7-1)81-91-82(55-20-8-2-9-21-55)94-85(93-81)66-44-46-89-87-79(66)71-51-61(37-42-77(71)99-87)60-36-41-76-70(50-60)69-48-58(34-39-75(69)98(76)64-26-14-5-15-27-64)53-30-32-57(33-31-53)84-92-83(56-22-10-3-11-23-56)95-86(96-84)67-45-47-90-88-80(67)72-52-62(38-43-78(72)100-88)59-35-40-74-68(49-59)65-28-16-17-29-73(65)97(74)63-24-12-4-13-25-63/h1-52H
InChIKeyALAADWWLZRUTGJ-UHFFFAOYSA-N
XLogP22.31
TPSA126.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001297.52
LogP ≤ 522.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine (CID 155039363) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccnc4oc5ccc(-c6ccc7c(c6)c6cc(-c8ccc(-c9nc(-c%10ccccc%10)nc(-c%10ccnc%11sc%12ccc(-c%13ccc%14c(c%13)c%13ccccc%13n%14-c%13ccccc%13)cc%12c%10%11)n9)cc8)ccc6n7-c6ccccc6)cc5c34)n2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine?
The InChIKey is ALAADWWLZRUTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N10OS/c1-6-18-54(19-7-1)81-91-82(55-20-8-2-9-21-55)94-85(93-81)66-44-46-89-87-79(66)71-51-61(37-42-77(71)99-87)60-36-41-76-70(50-60)69-48-58(34-39-75(69)98(76)64-26-14-5-15-27-64)53-30-32-57(33-31-53)84-92-83(56-22-10-3-11-23-56)95-86(96-84)67-45-47-90-88-80(67)72-52-62(38-43-78(72)100-88)59-35-40-74-68(49-59)65-28-16-17-29-73(65)97(74)63-24-12-4-13-25-63/h1-52H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1297.52 g/mol, XLogP of 22.31, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[9-phenyl-6-[4-[4-phenyl-6-[6-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]pyridin-4-yl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 155039363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).