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

C136H85N11O2S — CID 161059365

IUPAC3-(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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc43)n2)cc1
InChIInChI=1S/C46H29N3S.2C45H28N4O/c1-3-13-30(14-4-1)40-29-41(31-15-5-2-6-16-31)48-46(47-40)49-42-23-9-7-19-36(42)39-28-33(25-26-43(39)49)32-17-11-18-34(27-32)35-21-12-22-38-37-20-8-10-24-44(37)50-45(35)38;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)49-39-23-9-7-19-35(39)38-28-32(25-26-40(38)49)31-17-11-18-33(27-31)34-21-12-22-37-36-20-8-10-24-41(36)50-42(34)37;1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)49-39-20-9-7-18-35(39)37-27-33(22-24-40(37)49)31-16-11-17-32(26-31)34-23-25-42-38(28-34)36-19-8-10-21-41(36)50-42/h1-29H;2*1-28H
InChIKeyUDEQEQFFMLUPCE-UHFFFAOYSA-N
MW1937.32 g/mol
LogP35.68
Rot. Bonds15

About 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

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 (PubChem CID 161059365) has the molecular formula C136H85N11O2S and a molecular weight of 1937.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID161059365
Molecular FormulaC136H85N11O2S
Molecular Weight1937.32 g/mol
Exact Mass1935.66
IUPAC Name3-(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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc43)n2)cc1
InChIInChI=1S/C46H29N3S.2C45H28N4O/c1-3-13-30(14-4-1)40-29-41(31-15-5-2-6-16-31)48-46(47-40)49-42-23-9-7-19-36(42)39-28-33(25-26-43(39)49)32-17-11-18-34(27-32)35-21-12-22-38-37-20-8-10-24-44(37)50-45(35)38;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)49-39-23-9-7-19-35(39)38-28-32(25-26-40(38)49)31-17-11-18-33(27-31)34-21-12-22-37-36-20-8-10-24-41(36)50-42(34)37;1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)49-39-20-9-7-18-35(39)37-27-33(22-24-40(37)49)31-16-11-17-32(26-31)34-23-25-42-38(28-34)36-19-8-10-21-41(36)50-42/h1-29H;2*1-28H
InChIKeyUDEQEQFFMLUPCE-UHFFFAOYSA-N
XLogP35.68
TPSA144.19 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001937.32
LogP ≤ 535.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

3-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
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
3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;2-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 161402392
4-[3-(4-dibenzofuran-2-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171584514
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
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
4-dibenzofuran-2-yl-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158434773
2-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[6-(8-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(8-phenyldibenzofuran-2-yl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(8-phenyldibenzothiophen-2-yl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 158938397
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
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(2,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;9-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 163425573
3-(3-carbazol-9-yl-5-dibenzofuran-2-ylphenyl)-1-phenylbenzo[f]quinoline;1-[3-dibenzofuran-2-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylbenzo[f]quinoline;1-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylbenzo[f]quinoline
CID 162146893

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is UDEQEQFFMLUPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S.2C45H28N4O/c1-3-13-30(14-4-1)40-29-41(31-15-5-2-6-16-31)48-46(47-40)49-42-23-9-7-19-36(42)39-28-33(25-26-43(39)49)32-17-11-18-34(27-32)35-21-12-22-38-37-20-8-10-24-44(37)50-45(35)38;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)49-39-23-9-7-19-35(39)38-28-32(25-26-40(38)49)31-17-11-18-33(27-31)34-21-12-22-37-36-20-8-10-24-41(36)50-42(34)37;1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)49-39-20-9-7-18-35(39)37-27-33(22-24-40(37)49)31-16-11-17-32(26-31)34-23-25-42-38(28-34)36-19-8-10-21-41(36)50-42/h1-29H;2*1-28H.
What are the key properties of 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?
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 has a molecular weight of 1937.32 g/mol, XLogP of 35.68, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161059365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).