N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole

C133H86N8O3 — CID 161033096

IUPACN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C54H35NO2.C46H30N4.C33H21N3O/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-10-20-36(43)38-26-24-34(29-45(38)50)33-25-27-44-39(28-33)37-21-11-12-22-42(37)49(44)35-18-8-3-9-19-35;1-3-9-23(10-4-1)31-34-32(24-11-5-2-6-12-24)36-33(35-31)25-17-15-22(16-18-25)26-19-20-30-28(21-26)27-13-7-8-14-29(27)37-30/h1-35H;1-30H;1-21H
InChIKeyTZWQOUORJCKJHK-UHFFFAOYSA-N
MW1844.20 g/mol
LogP35.73
Rot. Bonds16

About N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole

N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 161033096) has the molecular formula C133H86N8O3 and a molecular weight of 1844.20 g/mol. Its IUPAC name is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID161033096
Molecular FormulaC133H86N8O3
Molecular Weight1844.20 g/mol
Exact Mass1842.68
IUPAC NameN,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C54H35NO2.C46H30N4.C33H21N3O/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-10-20-36(43)38-26-24-34(29-45(38)50)33-25-27-44-39(28-33)37-21-11-12-22-42(37)49(44)35-18-8-3-9-19-35;1-3-9-23(10-4-1)31-34-32(24-11-5-2-6-12-24)36-33(35-31)25-17-15-22(16-18-25)26-19-20-30-28(21-26)27-13-7-8-14-29(27)37-30/h1-35H;1-30H;1-21H
InChIKeyTZWQOUORJCKJHK-UHFFFAOYSA-N
XLogP35.73
TPSA116.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001844.20
LogP ≤ 535.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole with MolForge

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Related Compounds

3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158764250
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045
N-(4-dibenzofuran-3-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804997
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
3-[7-[4-[8-[4-[4-dibenzofuran-3-yl-6-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 170140037
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780
4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 158901392
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole (CID 161033096) is N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)n2)cc1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is TZWQOUORJCKJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2.C46H30N4.C33H21N3O/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50;1-4-14-31(15-5-1)40-30-41(32-16-6-2-7-17-32)48-46(47-40)50-43-23-13-10-20-36(43)38-26-24-34(29-45(38)50)33-25-27-44-39(28-33)37-21-11-12-22-42(37)49(44)35-18-8-3-9-19-35;1-3-9-23(10-4-1)31-34-32(24-11-5-2-6-12-24)36-33(35-31)25-17-15-22(16-18-25)26-19-20-30-28(21-26)27-13-7-8-14-29(27)37-30/h1-35H;1-30H;1-21H.
What are the key properties of N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole?
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 1844.20 g/mol, XLogP of 35.73, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;2-(4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 161033096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).