2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine

C63H33N3O5 — CID 156522941

IUPAC2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7oc8cc(-c9ccc%10oc%11ccccc%11c%10c9)ccc8c67)n5)c34)cc12
InChIInChI=1S/C63H33N3O5/c1-4-14-49-39(9-1)46-29-34(21-26-52(46)67-49)36-19-24-42-57(32-36)70-55-17-7-12-44(59(42)55)62-64-61(38-23-28-54-48(31-38)41-11-3-6-16-51(41)69-54)65-63(66-62)45-13-8-18-56-60(45)43-25-20-37(33-58(43)71-56)35-22-27-53-47(30-35)40-10-2-5-15-50(40)68-53/h1-33H
InChIKeyXTYHGQXZJIPKIE-UHFFFAOYSA-N
MW911.97 g/mol
LogP17.70
Rot. Bonds5

About 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine

2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 156522941) has the molecular formula C63H33N3O5 and a molecular weight of 911.97 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID156522941
Molecular FormulaC63H33N3O5
Molecular Weight911.97 g/mol
Exact Mass911.24
IUPAC Name2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7oc8cc(-c9ccc%10oc%11ccccc%11c%10c9)ccc8c67)n5)c34)cc12
InChIInChI=1S/C63H33N3O5/c1-4-14-49-39(9-1)46-29-34(21-26-52(46)67-49)36-19-24-42-57(32-36)70-55-17-7-12-44(59(42)55)62-64-61(38-23-28-54-48(31-38)41-11-3-6-16-51(41)69-54)65-63(66-62)45-13-8-18-56-60(45)43-25-20-37(33-58(43)71-56)35-22-27-53-47(30-35)40-10-2-5-15-50(40)68-53/h1-33H
InChIKeyXTYHGQXZJIPKIE-UHFFFAOYSA-N
XLogP17.70
TPSA104.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.97
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine with MolForge

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Related Compounds

2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
2-dibenzofuran-3-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 140946348
2-dibenzofuran-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 157056344
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-1-yl-4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-triphenylen-1-yl-1,3,5-triazine
CID 168908516

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine (CID 156522941) is 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)oc3cccc(-c5nc(-c6ccc7oc8ccccc8c7c6)nc(-c6cccc7oc8cc(-c9ccc%10oc%11ccccc%11c%10c9)ccc8c67)n5)c34)cc12.
What is the InChIKey of 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is XTYHGQXZJIPKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H33N3O5/c1-4-14-49-39(9-1)46-29-34(21-26-52(46)67-49)36-19-24-42-57(32-36)70-55-17-7-12-44(59(42)55)62-64-61(38-23-28-54-48(31-38)41-11-3-6-16-51(41)69-54)65-63(66-62)45-13-8-18-56-60(45)43-25-20-37(33-58(43)71-56)35-22-27-53-47(30-35)40-10-2-5-15-50(40)68-53/h1-33H.
What are the key properties of 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 911.97 g/mol, XLogP of 17.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 156522941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).