11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole

C132H78N10O5 — CID 159307474

IUPAC11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C46H28N4O.C46H27N3O2.C40H23N3O2/c1-3-13-29(14-4-1)37-28-43(48-46(47-37)30-23-24-34-33-18-9-12-22-41(33)51-42(34)27-30)50-39-21-11-8-19-36(39)44-40(50)26-25-35-32-17-7-10-20-38(32)49(45(35)44)31-15-5-2-6-16-31;1-2-11-28(12-3-1)29-21-23-30(24-22-29)37-27-44(48-46(47-37)34-16-10-20-42-45(34)33-15-6-9-19-41(33)50-42)49-38-17-7-4-13-31(38)35-26-43-36(25-39(35)49)32-14-5-8-18-40(32)51-43;1-2-10-24(11-3-1)32-23-39(42-40(41-32)25-18-19-37-30(20-25)27-13-5-8-16-35(27)44-37)43-33-15-7-4-12-26(33)29-22-38-31(21-34(29)43)28-14-6-9-17-36(28)45-38/h1-28H;1-27H;1-23H
InChIKeyLCCGYXNOCNSCNF-UHFFFAOYSA-N
MW1884.14 g/mol
LogP34.98
Rot. Bonds11

About 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole

11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 159307474) has the molecular formula C132H78N10O5 and a molecular weight of 1884.14 g/mol. Its IUPAC name is 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
PubChem CID159307474
Molecular FormulaC132H78N10O5
Molecular Weight1884.14 g/mol
Exact Mass1882.62
IUPAC Name11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C46H28N4O.C46H27N3O2.C40H23N3O2/c1-3-13-29(14-4-1)37-28-43(48-46(47-37)30-23-24-34-33-18-9-12-22-41(33)51-42(34)27-30)50-39-21-11-8-19-36(39)44-40(50)26-25-35-32-17-7-10-20-38(32)49(45(35)44)31-15-5-2-6-16-31;1-2-11-28(12-3-1)29-21-23-30(24-22-29)37-27-44(48-46(47-37)34-16-10-20-42-45(34)33-15-6-9-19-41(33)50-42)49-38-17-7-4-13-31(38)35-26-43-36(25-39(35)49)32-14-5-8-18-40(32)51-43;1-2-10-24(11-3-1)32-23-39(42-40(41-32)25-18-19-37-30(20-25)27-13-5-8-16-35(27)44-37)43-33-15-7-4-12-26(33)29-22-38-31(21-34(29)43)28-14-6-9-17-36(28)45-38/h1-28H;1-27H;1-23H
InChIKeyLCCGYXNOCNSCNF-UHFFFAOYSA-N
XLogP34.98
TPSA162.76 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001884.14
LogP ≤ 534.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 134168984
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-5-phenylindolo[3,2-c]carbazole
CID 134168986
5-[4-(6-dibenzofuran-2-yl-2-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 90085731
11-[6-dibenzofuran-3-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole
CID 118154475
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 160560099
1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)carbazole;methane
CID 161229807
12-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole;12-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole
CID 159993428
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 168768540
4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163421950
1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163850805
3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767917
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477

Frequently Asked Questions

What is the IUPAC name of 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole (CID 159307474) is 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cc5oc6ccccc6c5cc43)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is LCCGYXNOCNSCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4O.C46H27N3O2.C40H23N3O2/c1-3-13-29(14-4-1)37-28-43(48-46(47-37)30-23-24-34-33-18-9-12-22-41(33)51-42(34)27-30)50-39-21-11-8-19-36(39)44-40(50)26-25-35-32-17-7-10-20-38(32)49(45(35)44)31-15-5-2-6-16-31;1-2-11-28(12-3-1)29-21-23-30(24-22-29)37-27-44(48-46(47-37)34-16-10-20-42-45(34)33-15-6-9-19-41(33)50-42)49-38-17-7-4-13-31(38)35-26-43-36(25-39(35)49)32-14-5-8-18-40(32)51-43;1-2-10-24(11-3-1)32-23-39(42-40(41-32)25-18-19-37-30(20-25)27-13-5-8-16-35(27)44-37)43-33-15-7-4-12-26(33)29-22-38-31(21-34(29)43)28-14-6-9-17-36(28)45-38/h1-28H;1-27H;1-23H.
What are the key properties of 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole?
11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole has a molecular weight of 1884.14 g/mol, XLogP of 34.98, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-dibenzofuran-1-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-b]carbazole;11-(2-dibenzofuran-2-yl-6-phenylpyrimidin-4-yl)-[1]benzofuro[3,2-b]carbazole;5-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 159307474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).