2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine

C81H46N10O2S — CID 139418365

IUPAC2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c8c7sc7cnccc78)ccc65)cc4)c3)nc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C81H46N10O2S/c1-4-17-48(18-5-1)74-84-75(49-19-6-2-7-20-49)87-79(86-74)61-38-37-56(73-70(61)60-41-42-82-46-69(60)94-73)52-33-39-65-62(44-52)57-25-10-13-28-64(57)91(65)55-35-31-47(32-36-55)51-23-16-24-53(43-51)78-85-76(50-21-8-3-9-22-50)88-80(89-78)72-71-59-27-12-15-30-67(59)93-81(71)90-77(83-72)54-34-40-68-63(45-54)58-26-11-14-29-66(58)92-68/h1-46H
InChIKeyRFTVXLRNHGLUCB-UHFFFAOYSA-N
MW1223.39 g/mol
LogP20.51
Rot. Bonds10

About 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine

2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 139418365) has the molecular formula C81H46N10O2S and a molecular weight of 1223.39 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine
PubChem CID139418365
Molecular FormulaC81H46N10O2S
Molecular Weight1223.39 g/mol
Exact Mass1222.35
IUPAC Name2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c8c7sc7cnccc78)ccc65)cc4)c3)nc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C81H46N10O2S/c1-4-17-48(18-5-1)74-84-75(49-19-6-2-7-20-49)87-79(86-74)61-38-37-56(73-70(61)60-41-42-82-46-69(60)94-73)52-33-39-65-62(44-52)57-25-10-13-28-64(57)91(65)55-35-31-47(32-36-55)51-23-16-24-53(43-51)78-85-76(50-21-8-3-9-22-50)88-80(89-78)72-71-59-27-12-15-30-67(59)93-81(71)90-77(83-72)54-34-40-68-63(45-54)58-26-11-14-29-66(58)92-68/h1-46H
InChIKeyRFTVXLRNHGLUCB-UHFFFAOYSA-N
XLogP20.51
TPSA147.22 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.39
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine (CID 139418365) is 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2nc(-c3cccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c8c7sc7cnccc78)ccc65)cc4)c3)nc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is RFTVXLRNHGLUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H46N10O2S/c1-4-17-48(18-5-1)74-84-75(49-19-6-2-7-20-49)87-79(86-74)61-38-37-56(73-70(61)60-41-42-82-46-69(60)94-73)52-33-39-65-62(44-52)57-25-10-13-28-64(57)91(65)55-35-31-47(32-36-55)51-23-16-24-53(43-51)78-85-76(50-21-8-3-9-22-50)88-80(89-78)72-71-59-27-12-15-30-67(59)93-81(71)90-77(83-72)54-34-40-68-63(45-54)58-26-11-14-29-66(58)92-68/h1-46H.
What are the key properties of 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine?
2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 1223.39 g/mol, XLogP of 20.51, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-[4-[3-[4-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 139418365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).