2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

C51H29N3O3 — CID 137496784

IUPAC2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)cc34)n2)cc1
InChIInChI=1S/C51H29N3O3/c1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-38-42-28-35(32-20-23-45-40(25-32)36-15-7-9-17-43(36)55-45)27-39(48(42)57-47(38)29-34)33-21-24-46-41(26-33)37-16-8-10-18-44(37)56-46/h1-29H
InChIKeyNHAXYGYDTPCVEI-UHFFFAOYSA-N
MW731.81 g/mol
LogP13.90
Rot. Bonds5

About 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 137496784) has the molecular formula C51H29N3O3 and a molecular weight of 731.81 g/mol. Its IUPAC name is 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID137496784
Molecular FormulaC51H29N3O3
Molecular Weight731.81 g/mol
Exact Mass731.22
IUPAC Name2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)cc34)n2)cc1
InChIInChI=1S/C51H29N3O3/c1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-38-42-28-35(32-20-23-45-40(25-32)36-15-7-9-17-43(36)55-45)27-39(48(42)57-47(38)29-34)33-21-24-46-41(26-33)37-16-8-10-18-44(37)56-46/h1-29H
InChIKeyNHAXYGYDTPCVEI-UHFFFAOYSA-N
XLogP13.90
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.81
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-phenyl-4-[7-(4-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206765
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176817775
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170378755
2-dibenzofuran-2-yl-4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 169048833

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 137496784) is 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)cc34)n2)cc1.
What is the InChIKey of 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is NHAXYGYDTPCVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O3/c1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-38-42-28-35(32-20-23-45-40(25-32)36-15-7-9-17-43(36)55-45)27-39(48(42)57-47(38)29-34)33-21-24-46-41(26-33)37-16-8-10-18-44(37)56-46/h1-29H.
What are the key properties of 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 731.81 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 137496784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).