2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

C51H29N3O3 — CID 157361535

IUPAC2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3oc4cc(-c5nc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc4c23)cc1
InChIInChI=1S/C51H29N3O3/c1-2-9-31(10-3-1)36-13-8-16-45-48(36)40-25-22-35(29-47(40)57-45)51-53-49(52-50(54-51)34-21-24-39-37-11-4-6-14-42(37)56-46(39)28-34)32-19-17-30(18-20-32)33-23-26-44-41(27-33)38-12-5-7-15-43(38)55-44/h1-29H
InChIKeyJMYXTXBRZYOKBS-UHFFFAOYSA-N
MW731.81 g/mol
LogP13.90
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 157361535) has the molecular formula C51H29N3O3 and a molecular weight of 731.81 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID157361535
Molecular FormulaC51H29N3O3
Molecular Weight731.81 g/mol
Exact Mass731.22
IUPAC Name2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2cccc3oc4cc(-c5nc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc4c23)cc1
InChIInChI=1S/C51H29N3O3/c1-2-9-31(10-3-1)36-13-8-16-45-48(36)40-25-22-35(29-47(40)57-45)51-53-49(52-50(54-51)34-21-24-39-37-11-4-6-14-42(37)56-46(39)28-34)32-19-17-30(18-20-32)33-23-26-44-41(27-33)38-12-5-7-15-43(38)55-44/h1-29H
InChIKeyJMYXTXBRZYOKBS-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

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Related Compounds

2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170193016
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192124
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166742269

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 157361535) is 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is c1ccc(-c2cccc3oc4cc(-c5nc(-c6ccc(-c7ccc8oc9ccccc9c8c7)cc6)nc(-c6ccc7c(c6)oc6ccccc67)n5)ccc4c23)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is JMYXTXBRZYOKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N3O3/c1-2-9-31(10-3-1)36-13-8-16-45-48(36)40-25-22-35(29-47(40)57-45)51-53-49(52-50(54-51)34-21-24-39-37-11-4-6-14-42(37)56-46(39)28-34)32-19-17-30(18-20-32)33-23-26-44-41(27-33)38-12-5-7-15-43(38)55-44/h1-29H.
What are the key properties of 2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-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-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 157361535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).