12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

C136H73N11O9 — CID 160626261

IUPAC12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)cccc12.c1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)cccc12.c1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)cccc12
InChIInChI=1S/C46H25N3O3.2C45H24N4O3/c1-5-19-38-26(11-1)30-23-24-33-29-14-4-8-22-41(29)52-45(33)42(30)49(38)46-47-36(34-17-9-15-31-27-12-2-6-20-39(27)50-43(31)34)25-37(48-46)35-18-10-16-32-28-13-3-7-21-40(28)51-44(32)35;1-5-19-34-31(14-1)39-35(24-23-30-27-13-4-8-22-38(27)52-42(30)39)49(34)45-47-43(32-17-9-15-28-25-11-2-6-20-36(25)50-40(28)32)46-44(48-45)33-18-10-16-29-26-12-3-7-21-37(26)51-41(29)33;1-5-19-35-25(11-1)29-23-24-32-28-14-4-8-22-38(28)52-42(32)39(29)49(35)45-47-43(33-17-9-15-30-26-12-2-6-20-36(26)50-40(30)33)46-44(48-45)34-18-10-16-31-27-13-3-7-21-37(27)51-41(31)34/h1-25H;2*1-24H
InChIKeyRHIKPHFIEZEZGJ-UHFFFAOYSA-N
MW2005.15 g/mol
LogP36.61
Rot. Bonds9

About 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 160626261) has the molecular formula C136H73N11O9 and a molecular weight of 2005.15 g/mol. Its IUPAC name is 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID160626261
Molecular FormulaC136H73N11O9
Molecular Weight2005.15 g/mol
Exact Mass2003.56
IUPAC Name12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)cccc12.c1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)cccc12.c1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)cccc12
InChIInChI=1S/C46H25N3O3.2C45H24N4O3/c1-5-19-38-26(11-1)30-23-24-33-29-14-4-8-22-41(29)52-45(33)42(30)49(38)46-47-36(34-17-9-15-31-27-12-2-6-20-39(27)50-43(31)34)25-37(48-46)35-18-10-16-32-28-13-3-7-21-40(28)51-44(32)35;1-5-19-34-31(14-1)39-35(24-23-30-27-13-4-8-22-38(27)52-42(30)39)49(34)45-47-43(32-17-9-15-28-25-11-2-6-20-36(25)50-40(28)32)46-44(48-45)33-18-10-16-29-26-12-3-7-21-37(26)51-41(29)33;1-5-19-35-25(11-1)29-23-24-32-28-14-4-8-22-38(28)52-42(32)39(29)49(35)45-47-43(33-17-9-15-30-26-12-2-6-20-36(26)50-40(30)33)46-44(48-45)34-18-10-16-31-27-13-3-7-21-37(27)51-41(31)34/h1-25H;2*1-24H
InChIKeyRHIKPHFIEZEZGJ-UHFFFAOYSA-N
XLogP36.61
TPSA236.17 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002005.15
LogP ≤ 536.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158508454
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 158564648
12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
12-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168896
12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163786854
3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;4-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164994834
5-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 157316806
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 160626261) is 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc2c(c1)oc1c(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)cccc12.c1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)cccc12.c1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)cccc12.
What is the InChIKey of 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is RHIKPHFIEZEZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H25N3O3.2C45H24N4O3/c1-5-19-38-26(11-1)30-23-24-33-29-14-4-8-22-41(29)52-45(33)42(30)49(38)46-47-36(34-17-9-15-31-27-12-2-6-20-39(27)50-43(31)34)25-37(48-46)35-18-10-16-32-28-13-3-7-21-40(28)51-44(32)35;1-5-19-34-31(14-1)39-35(24-23-30-27-13-4-8-22-38(27)52-42(30)39)49(34)45-47-43(32-17-9-15-28-25-11-2-6-20-36(25)50-40(28)32)46-44(48-45)33-18-10-16-29-26-12-3-7-21-37(26)51-41(29)33;1-5-19-35-25(11-1)29-23-24-32-28-14-4-8-22-38(28)52-42(32)39(29)49(35)45-47-43(33-17-9-15-30-26-12-2-6-20-36(26)50-40(30)33)46-44(48-45)34-18-10-16-31-27-13-3-7-21-37(27)51-41(31)34/h1-25H;2*1-24H.
What are the key properties of 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 2005.15 g/mol, XLogP of 36.61, 9 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;5-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 160626261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).