9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole

C187H119N13O4 — CID 158783189

IUPAC9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)n1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C52H32N4O.C49H33N3O.C46H29N3O.C40H25N3O/c1-3-15-33(16-4-1)34-17-13-18-35(29-34)44-32-45(41-25-14-24-40-39-23-9-12-28-50(39)57-51(40)41)54-52(53-44)56-47-27-11-8-22-38(47)43-30-48-42(31-49(43)56)37-21-7-10-26-46(37)55(48)36-19-5-2-6-20-36;1-49(2)40-23-9-6-18-33(40)38-28-45-39(27-41(38)49)34-19-7-10-24-44(34)52(45)48-50-42(32-17-12-16-31(26-32)30-14-4-3-5-15-30)29-43(51-48)37-22-13-21-36-35-20-8-11-25-46(35)53-47(36)37;1-3-13-30(14-4-1)31-15-11-16-32(27-31)40-29-41(48-46(47-40)38-22-12-21-37-36-20-8-10-24-44(36)50-45(37)38)33-25-26-43-39(28-33)35-19-7-9-23-42(35)49(43)34-17-5-2-6-18-34;1-2-12-26(13-3-1)27-14-10-15-28(24-27)34-25-38(43-35-21-7-4-16-29(35)30-17-5-8-22-36(30)43)42-40(41-34)33-20-11-19-32-31-18-6-9-23-37(31)44-39(32)33/h1-32H;3-29H,1-2H3;1-29H;1-25H
InChIKeyIRINVYKGFYOLPX-UHFFFAOYSA-N
MW2612.10 g/mol
LogP48.97
Rot. Bonds18

About 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole

9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 158783189) has the molecular formula C187H119N13O4 and a molecular weight of 2612.10 g/mol. Its IUPAC name is 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
PubChem CID158783189
Molecular FormulaC187H119N13O4
Molecular Weight2612.10 g/mol
Exact Mass2609.95
IUPAC Name9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)n1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C52H32N4O.C49H33N3O.C46H29N3O.C40H25N3O/c1-3-15-33(16-4-1)34-17-13-18-35(29-34)44-32-45(41-25-14-24-40-39-23-9-12-28-50(39)57-51(40)41)54-52(53-44)56-47-27-11-8-22-38(47)43-30-48-42(31-49(43)56)37-21-7-10-26-46(37)55(48)36-19-5-2-6-20-36;1-49(2)40-23-9-6-18-33(40)38-28-45-39(27-41(38)49)34-19-7-10-24-44(34)52(45)48-50-42(32-17-12-16-31(26-32)30-14-4-3-5-15-30)29-43(51-48)37-22-13-21-36-35-20-8-11-25-46(35)53-47(36)37;1-3-13-30(14-4-1)31-15-11-16-32(27-31)40-29-41(48-46(47-40)38-22-12-21-37-36-20-8-10-24-44(36)50-45(37)38)33-25-26-43-39(28-33)35-19-7-9-23-42(35)49(43)34-17-5-2-6-18-34;1-2-12-26(13-3-1)27-14-10-15-28(24-27)34-25-38(43-35-21-7-4-16-29(35)30-17-5-8-22-36(30)43)42-40(41-34)33-20-11-19-32-31-18-6-9-23-37(31)44-39(32)33/h1-32H;3-29H,1-2H3;1-29H;1-25H
InChIKeyIRINVYKGFYOLPX-UHFFFAOYSA-N
XLogP48.97
TPSA180.33 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002612.10
LogP ≤ 548.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

9-[2-dibenzofuran-2-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 161410488
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118154014
3-dibenzofuran-4-yl-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6,9-diphenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 161332282
11-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 161108406
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(2,6-diphenylpyrimidin-4-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenylpyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 160711952
9-dibenzofuran-4-yl-11,11-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 130209419
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
2-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-9-phenylcarbazole;3-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-9-phenylcarbazole;5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
CID 158000888
5-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 169014938
11-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158593172
10-[5-(2,6-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223360

Frequently Asked Questions

What is the IUPAC name of 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole (CID 158783189) is 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1nc(-c2cccc(-c3ccccc3)c2)cc(-c2cccc3c2oc2ccccc23)n1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-n4c5ccccc5c5ccccc54)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is IRINVYKGFYOLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O.C49H33N3O.C46H29N3O.C40H25N3O/c1-3-15-33(16-4-1)34-17-13-18-35(29-34)44-32-45(41-25-14-24-40-39-23-9-12-28-50(39)57-51(40)41)54-52(53-44)56-47-27-11-8-22-38(47)43-30-48-42(31-49(43)56)37-21-7-10-26-46(37)55(48)36-19-5-2-6-20-36;1-49(2)40-23-9-6-18-33(40)38-28-45-39(27-41(38)49)34-19-7-10-24-44(34)52(45)48-50-42(32-17-12-16-31(26-32)30-14-4-3-5-15-30)29-43(51-48)37-22-13-21-36-35-20-8-11-25-46(35)53-47(36)37;1-3-13-30(14-4-1)31-15-11-16-32(27-31)40-29-41(48-46(47-40)38-22-12-21-37-36-20-8-10-24-44(36)50-45(37)38)33-25-26-43-39(28-33)35-19-7-9-23-42(35)49(43)34-17-5-2-6-18-34;1-2-12-26(13-3-1)27-14-10-15-28(24-27)34-25-38(43-35-21-7-4-16-29(35)30-17-5-8-22-36(30)43)42-40(41-34)33-20-11-19-32-31-18-6-9-23-37(31)44-39(32)33/h1-32H;3-29H,1-2H3;1-29H;1-25H.
What are the key properties of 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole?
9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 2612.10 g/mol, XLogP of 48.97, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]carbazole;5-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole;11-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 158783189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).