2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C51H31N3O2 — CID 176617087

IUPAC2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-4-14-32(15-5-1)35-26-28-37(42(30-35)33-16-6-2-7-17-33)39-21-12-22-40-47-41(23-13-25-46(47)56-48(39)40)51-53-49(34-18-8-3-9-19-34)52-50(54-51)36-27-29-45-43(31-36)38-20-10-11-24-44(38)55-45/h1-31H
InChIKeyAWFSDNRZZKMUDO-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 176617087) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID176617087
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-4-14-32(15-5-1)35-26-28-37(42(30-35)33-16-6-2-7-17-33)39-21-12-22-40-47-41(23-13-25-46(47)56-48(39)40)51-53-49(34-18-8-3-9-19-34)52-50(54-51)36-27-29-45-43(31-36)38-20-10-11-24-44(38)55-45/h1-31H
InChIKeyAWFSDNRZZKMUDO-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808464
2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808431
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808644
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164999479
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-(4-dibenzofuran-2-yl-2-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402370
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-dibenzofuran-4-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-[6-[6-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 167183083
2-[6-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808678

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 176617087) is 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2ccc(-c3cccc4c3oc3cccc(-c5nc(-c6ccccc6)nc(-c6ccc7oc8ccccc8c7c6)n5)c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is AWFSDNRZZKMUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-4-14-32(15-5-1)35-26-28-37(42(30-35)33-16-6-2-7-17-33)39-21-12-22-40-47-41(23-13-25-46(47)56-48(39)40)51-53-49(34-18-8-3-9-19-34)52-50(54-51)36-27-29-45-43(31-36)38-20-10-11-24-44(38)55-45/h1-31H.
What are the key properties of 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176617087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).