2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine

C49H27N3O2S — CID 166741703

IUPAC2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C49H27N3O2S/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(52-49(51-47)38-18-9-17-34-31-13-5-8-22-42(31)55-46(34)38)37-26-25-33(45-44(37)36-15-4-7-20-40(36)54-45)32-16-10-21-41-43(32)35-14-3-6-19-39(35)53-41/h1-27H
InChIKeyDQDJJJCLAOAYNH-UHFFFAOYSA-N
MW721.84 g/mol
LogP13.86
Rot. Bonds4

About 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine

2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 166741703) has the molecular formula C49H27N3O2S and a molecular weight of 721.84 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID166741703
Molecular FormulaC49H27N3O2S
Molecular Weight721.84 g/mol
Exact Mass721.18
IUPAC Name2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
SMILESc1ccc2cc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C49H27N3O2S/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(52-49(51-47)38-18-9-17-34-31-13-5-8-22-42(31)55-46(34)38)37-26-25-33(45-44(37)36-15-4-7-20-40(36)54-45)32-16-10-21-41-43(32)35-14-3-6-19-39(35)53-41/h1-27H
InChIKeyDQDJJJCLAOAYNH-UHFFFAOYSA-N
XLogP13.86
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.84
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-[5-(4-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzothiophen-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743502
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743482
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743231
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259797
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-dibenzothiophen-4-yl-4-[4-(6-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-6-phenanthren-3-yl-1,3,5-triazine
CID 166743508

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine (CID 166741703) is 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine is c1ccc2cc(-c3nc(-c4cccc5c4sc4ccccc45)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is DQDJJJCLAOAYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H27N3O2S/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(52-49(51-47)38-18-9-17-34-31-13-5-8-22-42(31)55-46(34)38)37-26-25-33(45-44(37)36-15-4-7-20-40(36)54-45)32-16-10-21-41-43(32)35-14-3-6-19-39(35)53-41/h1-27H.
What are the key properties of 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine?
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 721.84 g/mol, XLogP of 13.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 166741703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).