2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

C225H125N15O6S9 — CID 158804411

IUPAC2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1
InChIInChI=1S/C45H25N3O2S.4C45H25N3OS2/c1-2-12-26(13-3-1)43-46-44(34-21-11-25-38-39(34)33-15-5-7-24-37(33)49-38)48-45(47-43)35-22-10-20-32-31-19-9-18-30(41(31)51-42(32)35)29-17-8-16-28-27-14-4-6-23-36(27)50-40(28)29;1-2-12-26(13-3-1)43-46-44(35-22-10-18-31-28-15-5-7-25-38(28)50-41(31)35)48-45(47-43)36-23-11-21-34-33-20-9-19-32(40(33)51-42(34)36)30-17-8-16-29-27-14-4-6-24-37(27)49-39(29)30;1-2-12-26(13-3-1)43-46-44(34-21-11-25-38-39(34)33-15-5-7-24-37(33)50-38)48-45(47-43)35-22-10-20-32-31-19-9-18-30(41(31)51-42(32)35)29-17-8-16-28-27-14-4-6-23-36(27)49-40(28)29;1-2-11-26(12-3-1)43-46-44(27-23-24-30-29-14-5-7-22-38(29)50-39(30)25-27)48-45(47-43)36-20-10-19-35-34-18-9-17-33(41(34)51-42(35)36)32-16-8-15-31-28-13-4-6-21-37(28)49-40(31)32;1-2-11-26(12-3-1)43-46-44(27-23-24-39-36(25-27)29-14-5-7-22-38(29)50-39)48-45(47-43)35-20-10-19-34-33-18-9-17-32(41(33)51-42(34)35)31-16-8-15-30-28-13-4-6-21-37(28)49-40(30)31/h5*1-25H
InChIKeyITWUDQVSKZZQAE-UHFFFAOYSA-N
MW3423.18 g/mol
LogP65.41
Rot. Bonds20

About 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine

2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (PubChem CID 158804411) has the molecular formula C225H125N15O6S9 and a molecular weight of 3423.18 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
PubChem CID158804411
Molecular FormulaC225H125N15O6S9
Molecular Weight3423.18 g/mol
Exact Mass3419.74
IUPAC Name2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1
InChIInChI=1S/C45H25N3O2S.4C45H25N3OS2/c1-2-12-26(13-3-1)43-46-44(34-21-11-25-38-39(34)33-15-5-7-24-37(33)49-38)48-45(47-43)35-22-10-20-32-31-19-9-18-30(41(31)51-42(32)35)29-17-8-16-28-27-14-4-6-23-36(27)50-40(28)29;1-2-12-26(13-3-1)43-46-44(35-22-10-18-31-28-15-5-7-25-38(28)50-41(31)35)48-45(47-43)36-23-11-21-34-33-20-9-19-32(40(33)51-42(34)36)30-17-8-16-29-27-14-4-6-24-37(27)49-39(29)30;1-2-12-26(13-3-1)43-46-44(34-21-11-25-38-39(34)33-15-5-7-24-37(33)50-38)48-45(47-43)35-22-10-20-32-31-19-9-18-30(41(31)51-42(32)35)29-17-8-16-28-27-14-4-6-23-36(27)49-40(28)29;1-2-11-26(12-3-1)43-46-44(27-23-24-30-29-14-5-7-22-38(29)50-39(30)25-27)48-45(47-43)36-20-10-19-35-34-18-9-17-33(41(34)51-42(35)36)32-16-8-15-31-28-13-4-6-21-37(28)49-40(31)32;1-2-11-26(12-3-1)43-46-44(27-23-24-39-36(25-27)29-14-5-7-22-38(29)50-39)48-45(47-43)35-20-10-19-34-33-18-9-17-32(41(33)51-42(34)35)31-16-8-15-30-28-13-4-6-21-37(28)49-40(30)31/h5*1-25H
InChIKeyITWUDQVSKZZQAE-UHFFFAOYSA-N
XLogP65.41
TPSA272.19 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms255
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003423.18
LogP ≤ 565.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine (CID 158804411) is 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4c3sc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
The InChIKey is ITWUDQVSKZZQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N3O2S.4C45H25N3OS2/c1-2-12-26(13-3-1)43-46-44(34-21-11-25-38-39(34)33-15-5-7-24-37(33)49-38)48-45(47-43)35-22-10-20-32-31-19-9-18-30(41(31)51-42(32)35)29-17-8-16-28-27-14-4-6-23-36(27)50-40(28)29;1-2-12-26(13-3-1)43-46-44(35-22-10-18-31-28-15-5-7-25-38(28)50-41(31)35)48-45(47-43)36-23-11-21-34-33-20-9-19-32(40(33)51-42(34)36)30-17-8-16-29-27-14-4-6-24-37(27)49-39(29)30;1-2-12-26(13-3-1)43-46-44(34-21-11-25-38-39(34)33-15-5-7-24-37(33)50-38)48-45(47-43)35-22-10-20-32-31-19-9-18-30(41(31)51-42(32)35)29-17-8-16-28-27-14-4-6-23-36(27)49-40(28)29;1-2-11-26(12-3-1)43-46-44(27-23-24-30-29-14-5-7-22-38(29)50-39(30)25-27)48-45(47-43)36-20-10-19-35-34-18-9-17-33(41(34)51-42(35)36)32-16-8-15-31-28-13-4-6-21-37(28)49-40(31)32;1-2-11-26(12-3-1)43-46-44(27-23-24-39-36(25-27)29-14-5-7-22-38(29)50-39)48-45(47-43)35-20-10-19-34-33-18-9-17-32(41(33)51-42(34)35)31-16-8-15-30-28-13-4-6-21-37(28)49-40(30)31/h5*1-25H.
What are the key properties of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine has a molecular weight of 3423.18 g/mol, XLogP of 65.41, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 158804411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).