10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

C138H82N10O4 — CID 160644589

IUPAC10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)oc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3ccc4c(c3)oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/2C69H41N5O2/c1-5-19-42(20-6-1)67-70-68(43-21-7-2-8-22-43)72-69(71-67)56-41-44(47-29-17-31-50-52-37-39-59-61(65(52)75-63(47)50)54-27-13-15-33-57(54)73(59)45-23-9-3-10-24-45)35-36-48(56)49-30-18-32-51-53-38-40-60-62(66(53)76-64(49)51)55-28-14-16-34-58(55)74(60)46-25-11-4-12-26-46;1-5-17-42(18-6-1)67-70-68(43-19-7-2-8-20-43)72-69(71-67)56-39-44(45-30-33-50-52-35-37-59-63(65(52)75-61(50)40-45)54-25-13-15-27-57(54)73(59)47-21-9-3-10-22-47)29-32-49(56)46-31-34-51-53-36-38-60-64(66(53)76-62(51)41-46)55-26-14-16-28-58(55)74(60)48-23-11-4-12-24-48/h2*1-41H
InChIKeyRJPUTXNVDZIXIF-UHFFFAOYSA-N
MW1944.24 g/mol
LogP36.40
Rot. Bonds14

About 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole

10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (PubChem CID 160644589) has the molecular formula C138H82N10O4 and a molecular weight of 1944.24 g/mol. Its IUPAC name is 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
PubChem CID160644589
Molecular FormulaC138H82N10O4
Molecular Weight1944.24 g/mol
Exact Mass1942.65
IUPAC Name10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)oc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3ccc4c(c3)oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/2C69H41N5O2/c1-5-19-42(20-6-1)67-70-68(43-21-7-2-8-22-43)72-69(71-67)56-41-44(47-29-17-31-50-52-37-39-59-61(65(52)75-63(47)50)54-27-13-15-33-57(54)73(59)45-23-9-3-10-24-45)35-36-48(56)49-30-18-32-51-53-38-40-60-62(66(53)76-64(49)51)55-28-14-16-34-58(55)74(60)46-25-11-4-12-26-46;1-5-17-42(18-6-1)67-70-68(43-19-7-2-8-20-43)72-69(71-67)56-39-44(45-30-33-50-52-35-37-59-63(65(52)75-61(50)40-45)54-25-13-15-27-57(54)73(59)47-21-9-3-10-22-47)29-32-49(56)46-31-34-51-53-36-38-60-64(66(53)76-62(51)41-46)55-26-14-16-28-58(55)74(60)48-23-11-4-12-24-48/h2*1-41H
InChIKeyRJPUTXNVDZIXIF-UHFFFAOYSA-N
XLogP36.40
TPSA149.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.24
LogP ≤ 536.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole (CID 160644589) is 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)oc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3ccc4c(c3)oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4oc4c5ccc5c4c4ccccc4n5-c4ccccc4)ccc3-c3cccc4c3oc3c4ccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?
The InChIKey is RJPUTXNVDZIXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H41N5O2/c1-5-19-42(20-6-1)67-70-68(43-21-7-2-8-22-43)72-69(71-67)56-41-44(47-29-17-31-50-52-37-39-59-61(65(52)75-63(47)50)54-27-13-15-33-57(54)73(59)45-23-9-3-10-24-45)35-36-48(56)49-30-18-32-51-53-38-40-60-62(66(53)76-64(49)51)55-28-14-16-34-58(55)74(60)46-25-11-4-12-26-46;1-5-17-42(18-6-1)67-70-68(43-19-7-2-8-20-43)72-69(71-67)56-39-44(45-30-33-50-52-35-37-59-63(65(52)75-61(50)40-45)54-25-13-15-27-57(54)73(59)47-21-9-3-10-22-47)29-32-49(56)46-31-34-51-53-36-38-60-64(66(53)76-62(51)41-46)55-26-14-16-28-58(55)74(60)48-23-11-4-12-24-48/h2*1-41H.
What are the key properties of 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole?
10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1944.24 g/mol, XLogP of 36.40, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 160644589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).