3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

C130H79N11OS3 — CID 157268784

IUPAC3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)n4)cc3)cccc12
InChIInChI=1S/C46H27N3S2.C45H28N4S.C39H24N4O/c1-4-16-40-33(9-1)38-27-30(32-13-8-15-37-35-11-3-6-18-43(35)51-45(32)37)23-24-41(38)49(40)46-47-26-25-39(48-46)29-21-19-28(20-22-29)31-12-7-14-36-34-10-2-5-17-42(34)50-44(31)36;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)32-17-11-18-33(27-32)49-39-23-9-7-19-35(39)38-28-31(25-26-40(38)49)34-21-12-22-37-36-20-8-10-24-41(36)50-42(34)37;1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)43-33-20-9-7-16-29(33)32-24-27(22-23-34(32)43)28-18-11-19-31-30-17-8-10-21-35(30)44-36(28)31/h1-27H;1-28H;1-24H
InChIKeyAYHJKMMTRVKWEF-UHFFFAOYSA-N
MW1907.34 g/mol
LogP35.18
Rot. Bonds13

About 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole

3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 157268784) has the molecular formula C130H79N11OS3 and a molecular weight of 1907.34 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID157268784
Molecular FormulaC130H79N11OS3
Molecular Weight1907.34 g/mol
Exact Mass1905.56
IUPAC Name3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)n4)cc3)cccc12
InChIInChI=1S/C46H27N3S2.C45H28N4S.C39H24N4O/c1-4-16-40-33(9-1)38-27-30(32-13-8-15-37-35-11-3-6-18-43(35)51-45(32)37)23-24-41(38)49(40)46-47-26-25-39(48-46)29-21-19-28(20-22-29)31-12-7-14-36-34-10-2-5-17-42(34)50-44(31)36;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)32-17-11-18-33(27-32)49-39-23-9-7-19-35(39)38-28-31(25-26-40(38)49)34-21-12-22-37-36-20-8-10-24-41(36)50-42(34)37;1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)43-33-20-9-7-16-29(33)32-24-27(22-23-34(32)43)28-18-11-19-31-30-17-8-10-21-35(30)44-36(28)31/h1-27H;1-28H;1-24H
InChIKeyAYHJKMMTRVKWEF-UHFFFAOYSA-N
XLogP35.18
TPSA131.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.34
LogP ≤ 535.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 157268784) is 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)n2)cc1.c1ccc2c(c1)sc1c(-c3ccc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)n4)cc3)cccc12.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is AYHJKMMTRVKWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3S2.C45H28N4S.C39H24N4O/c1-4-16-40-33(9-1)38-27-30(32-13-8-15-37-35-11-3-6-18-43(35)51-45(32)37)23-24-41(38)49(40)46-47-26-25-39(48-46)29-21-19-28(20-22-29)31-12-7-14-36-34-10-2-5-17-42(34)50-44(31)36;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)32-17-11-18-33(27-32)49-39-23-9-7-19-35(39)38-28-31(25-26-40(38)49)34-21-12-22-37-36-20-8-10-24-41(36)50-42(34)37;1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)43-33-20-9-7-16-29(33)32-24-27(22-23-34(32)43)28-18-11-19-31-30-17-8-10-21-35(30)44-36(28)31/h1-27H;1-28H;1-24H.
What are the key properties of 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1907.34 g/mol, XLogP of 35.18, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzothiophen-4-yl-9-[4-(4-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 157268784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).