3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole

C156H96N12O2S — CID 159294598

IUPAC3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)ccc43)n2)cc1
InChIInChI=1S/2C52H32N4O.C52H32N4S/c1-3-14-33(15-4-1)43-32-44(34-16-5-2-6-17-34)54-52(53-43)56-46-23-11-8-19-38(46)42-31-36(27-29-48(42)56)35-26-28-47-41(30-35)37-18-7-10-22-45(37)55(47)49-24-13-21-40-39-20-9-12-25-50(39)57-51(40)49;1-3-13-33(14-4-1)44-32-45(34-15-5-2-6-16-34)54-52(53-44)56-47-21-11-8-18-39(47)42-30-36(24-27-49(42)56)35-23-26-48-41(29-35)38-17-7-10-20-46(38)55(48)37-25-28-51-43(31-37)40-19-9-12-22-50(40)57-51;1-3-14-33(15-4-1)43-32-44(34-16-5-2-6-17-34)54-52(53-43)56-46-23-11-8-19-38(46)42-31-36(27-29-48(42)56)35-26-28-47-41(30-35)37-18-7-10-22-45(37)55(47)49-24-13-21-40-39-20-9-12-25-50(39)57-51(40)49/h3*1-32H
InChIKeyLANXWYGVLFBPEF-UHFFFAOYSA-N
MW2202.63 g/mol
LogP41.18
Rot. Bonds15

About 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole (PubChem CID 159294598) has the molecular formula C156H96N12O2S and a molecular weight of 2202.63 g/mol. Its IUPAC name is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
PubChem CID159294598
Molecular FormulaC156H96N12O2S
Molecular Weight2202.63 g/mol
Exact Mass2200.75
IUPAC Name3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)ccc43)n2)cc1
InChIInChI=1S/2C52H32N4O.C52H32N4S/c1-3-14-33(15-4-1)43-32-44(34-16-5-2-6-17-34)54-52(53-43)56-46-23-11-8-19-38(46)42-31-36(27-29-48(42)56)35-26-28-47-41(30-35)37-18-7-10-22-45(37)55(47)49-24-13-21-40-39-20-9-12-25-50(39)57-51(40)49;1-3-13-33(14-4-1)44-32-45(34-15-5-2-6-16-34)54-52(53-44)56-47-21-11-8-18-39(47)42-30-36(24-27-49(42)56)35-23-26-48-41(29-35)38-17-7-10-20-46(38)55(48)37-25-28-51-43(31-37)40-19-9-12-22-50(40)57-51;1-3-14-33(15-4-1)43-32-44(34-16-5-2-6-17-34)54-52(53-43)56-46-23-11-8-19-38(46)42-31-36(27-29-48(42)56)35-26-28-47-41(30-35)37-18-7-10-22-45(37)55(47)49-24-13-21-40-39-20-9-12-25-50(39)57-51(40)49/h3*1-32H
InChIKeyLANXWYGVLFBPEF-UHFFFAOYSA-N
XLogP41.18
TPSA133.20 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002202.63
LogP ≤ 541.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole with MolForge

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Related Compounds

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 159781262
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 160623255
9-dibenzofuran-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-2-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-dibenzothiophen-4-yl-3-(3-triphenylen-2-ylphenyl)carbazole;9-phenyl-3-[3-(3-triphenylen-2-ylphenyl)carbazol-9-yl]carbazole
CID 158857501
3-(3-dibenzofuran-2-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(3-dibenzothiophen-4-ylphenyl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 161059365
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-phenylcarbazole
CID 161380088
3-(6-carbazol-9-yl-8-phenyldibenzofuran-2-yl)-9-dibenzothiophen-4-ylcarbazole
CID 155379459
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;2-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;2-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 159038500
5-dibenzofuran-4-yl-2-phenyl-[1]benzofuro[3,2-c]carbazole;5-dibenzothiophen-4-yl-3-phenyl-[1]benzofuro[3,2-c]carbazole;5-(6,9-diphenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;3-phenyl-5-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 158788066
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
3-(3-carbazol-9-ylphenyl)-6-[3-[6-[4-[6-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 139524597
9-[8-carbazol-9-yl-2-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-4-yl]-3-dibenzofuran-4-ylcarbazole;3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-2-ylcarbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-4-ylcarbazole
CID 160860394

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole (CID 159294598) is 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole.
What is the SMILES notation for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The canonical SMILES for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5sc5ccccc56)ccc43)n2)cc1.
What is the InChIKey of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
The InChIKey is LANXWYGVLFBPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N4O.C52H32N4S/c1-3-14-33(15-4-1)43-32-44(34-16-5-2-6-17-34)54-52(53-43)56-46-23-11-8-19-38(46)42-31-36(27-29-48(42)56)35-26-28-47-41(30-35)37-18-7-10-22-45(37)55(47)49-24-13-21-40-39-20-9-12-25-50(39)57-51(40)49;1-3-13-33(14-4-1)44-32-45(34-15-5-2-6-16-34)54-52(53-44)56-47-21-11-8-18-39(47)42-30-36(24-27-49(42)56)35-23-26-48-41(29-35)38-17-7-10-20-46(38)55(48)37-25-28-51-43(31-37)40-19-9-12-22-50(40)57-51;1-3-14-33(15-4-1)43-32-44(34-16-5-2-6-17-34)54-52(53-43)56-46-23-11-8-19-38(46)42-31-36(27-29-48(42)56)35-26-28-47-41(30-35)37-18-7-10-22-45(37)55(47)49-24-13-21-40-39-20-9-12-25-50(39)57-51(40)49/h3*1-32H.
What are the key properties of 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole?
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole has a molecular weight of 2202.63 g/mol, XLogP of 41.18, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-(9-dibenzothiophen-4-ylcarbazol-3-yl)-9-(4,6-diphenylpyrimidin-2-yl)carbazole is sourced from PubChem (CID 159294598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).