3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole

C178H105N11O6 — CID 158442816

IUPAC3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)cc21.c1cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)n2)c1
InChIInChI=1S/C91H55N5O3.C87H50N6O3/c1-91(2)74-49-58(27-35-60(74)61-36-34-59(50-75(61)91)94-77-21-9-3-15-62(77)68-43-52(28-37-80(68)94)55-31-40-86-71(46-55)65-18-6-12-24-83(65)97-86)76-51-89(95-78-22-10-4-16-63(78)69-44-53(29-38-81(69)95)56-32-41-87-72(47-56)66-19-7-13-25-84(66)98-87)93-90(92-76)96-79-23-11-5-17-64(79)70-45-54(30-39-82(70)96)57-33-42-88-73(48-57)67-20-8-14-26-85(67)99-88;1-7-25-73-61(19-1)67-45-53(56-34-40-82-70(48-56)64-22-4-10-28-79(64)94-82)31-37-76(67)91(73)60-18-14-16-52(44-60)51-15-13-17-59(43-51)85-88-86(92-74-26-8-2-20-62(74)68-46-54(32-38-77(68)92)57-35-41-83-71(49-57)65-23-5-11-29-80(65)95-83)90-87(89-85)93-75-27-9-3-21-63(75)69-47-55(33-39-78(69)93)58-36-42-84-72(50-58)66-24-6-12-30-81(66)96-84/h3-51H,1-2H3;1-50H
InChIKeyHDAFUSMAOJYLAO-UHFFFAOYSA-N
MW2493.87 g/mol
LogP47.64
Rot. Bonds15

About 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole

3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 158442816) has the molecular formula C178H105N11O6 and a molecular weight of 2493.87 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
PubChem CID158442816
Molecular FormulaC178H105N11O6
Molecular Weight2493.87 g/mol
Exact Mass2491.82
IUPAC Name3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
SMILESCC1(C)c2cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)cc21.c1cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)n2)c1
InChIInChI=1S/C91H55N5O3.C87H50N6O3/c1-91(2)74-49-58(27-35-60(74)61-36-34-59(50-75(61)91)94-77-21-9-3-15-62(77)68-43-52(28-37-80(68)94)55-31-40-86-71(46-55)65-18-6-12-24-83(65)97-86)76-51-89(95-78-22-10-4-16-63(78)69-44-53(29-38-81(69)95)56-32-41-87-72(47-56)66-19-7-13-25-84(66)98-87)93-90(92-76)96-79-23-11-5-17-64(79)70-45-54(30-39-82(70)96)57-33-42-88-73(48-57)67-20-8-14-26-85(67)99-88;1-7-25-73-61(19-1)67-45-53(56-34-40-82-70(48-56)64-22-4-10-28-79(64)94-82)31-37-76(67)91(73)60-18-14-16-52(44-60)51-15-13-17-59(43-51)85-88-86(92-74-26-8-2-20-62(74)68-46-54(32-38-77(68)92)57-35-41-83-71(49-57)65-23-5-11-29-80(65)95-83)90-87(89-85)93-75-27-9-3-21-63(75)69-47-55(33-39-78(69)93)58-36-42-84-72(50-58)66-24-6-12-30-81(66)96-84/h3-51H,1-2H3;1-50H
InChIKeyHDAFUSMAOJYLAO-UHFFFAOYSA-N
XLogP47.64
TPSA172.87 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002493.87
LogP ≤ 547.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-2-yl]carbazole
CID 126632399
9-[7-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630678
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
7-[7-[2,6-bis[7-([1]benzofuro[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 126631014
9-[3-dibenzofuran-2-yl-5-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 67678611
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
3-dibenzothiophen-3-yl-9-[4-(3-dibenzothiophen-3-ylcarbazol-9-yl)-6-[3-(3-dibenzothiophen-3-ylcarbazol-9-yl)phenyl]pyrimidin-2-yl]carbazole;3-(9,9-dimethylfluoren-2-yl)-9-[3-[2-[3-[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole;methane
CID 162161551
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
5-[4-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126632809
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
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
9-(3-dibenzofuran-2-ylphenyl)-3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 118149420

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (CID 158442816) is 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is CC1(C)c2cc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)nc(-n4c5ccccc5c5cc(-c6ccc7oc8ccccc8c7c6)ccc54)n3)ccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)cc21.c1cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)c2)cc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)nc(-n3c4ccccc4c4cc(-c5ccc6oc7ccccc7c6c5)ccc43)n2)c1.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is HDAFUSMAOJYLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H55N5O3.C87H50N6O3/c1-91(2)74-49-58(27-35-60(74)61-36-34-59(50-75(61)91)94-77-21-9-3-15-62(77)68-43-52(28-37-80(68)94)55-31-40-86-71(46-55)65-18-6-12-24-83(65)97-86)76-51-89(95-78-22-10-4-16-63(78)69-44-53(29-38-81(69)95)56-32-41-87-72(47-56)66-19-7-13-25-84(66)98-87)93-90(92-76)96-79-23-11-5-17-64(79)70-45-54(30-39-82(70)96)57-33-42-88-73(48-57)67-20-8-14-26-85(67)99-88;1-7-25-73-61(19-1)67-45-53(56-34-40-82-70(48-56)64-22-4-10-28-79(64)94-82)31-37-76(67)91(73)60-18-14-16-52(44-60)51-15-13-17-59(43-51)85-88-86(92-74-26-8-2-20-62(74)68-46-54(32-38-77(68)92)57-35-41-83-71(49-57)65-23-5-11-29-80(65)95-83)90-87(89-85)93-75-27-9-3-21-63(75)69-47-55(33-39-78(69)93)58-36-42-84-72(50-58)66-24-6-12-30-81(66)96-84/h3-51H,1-2H3;1-50H.
What are the key properties of 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole?
3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 2493.87 g/mol, XLogP of 47.64, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]pyrimidin-2-yl]carbazole;3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 158442816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).