2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine

C45H29N3O2 — CID 167030484

IUPAC2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5cc(-c6ccc(-c7ccccc7)cc6)ccc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1
InChIInChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)29-21-23-30(24-22-29)32-25-26-35-40(27-32)49-39-20-10-17-36(41(35)39)44-46-43(31-13-5-2-6-14-31)47-45(48-44)37-18-9-16-34-33-15-7-8-19-38(33)50-42(34)37/h1-27,44H,(H,46,47,48)
InChIKeyDLXNZIRLWDTTHS-UHFFFAOYSA-N
MW643.75 g/mol
LogP11.31
Rot. Bonds5

About 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine

2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 167030484) has the molecular formula C45H29N3O2 and a molecular weight of 643.75 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID167030484
Molecular FormulaC45H29N3O2
Molecular Weight643.75 g/mol
Exact Mass643.23
IUPAC Name2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5cc(-c6ccc(-c7ccccc7)cc6)ccc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1
InChIInChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)29-21-23-30(24-22-29)32-25-26-35-40(27-32)49-39-20-10-17-36(41(35)39)44-46-43(31-13-5-2-6-14-31)47-45(48-44)37-18-9-16-34-33-15-7-8-19-38(33)50-42(34)37/h1-27,44H,(H,46,47,48)
InChIKeyDLXNZIRLWDTTHS-UHFFFAOYSA-N
XLogP11.31
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.75
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170423789
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030009
4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167419816
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (CID 167030484) is 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4oc5cc(-c6ccc(-c7ccccc7)cc6)ccc5c34)N=C(c3cccc4c3oc3ccccc34)N2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is DLXNZIRLWDTTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2/c1-3-11-28(12-4-1)29-21-23-30(24-22-29)32-25-26-35-40(27-32)49-39-20-10-17-36(41(35)39)44-46-43(31-13-5-2-6-14-31)47-45(48-44)37-18-9-16-34-33-15-7-8-19-38(33)50-42(34)37/h1-27,44H,(H,46,47,48).
What are the key properties of 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 643.75 g/mol, XLogP of 11.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167030484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).