4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine

C45H29N3O2 — CID 170249363

IUPAC4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3ccccc34)N=C(c3cccc4oc5ccc(-c6ccc(-c7ccccc7)cc6)cc5c34)N2)cc1
InChIInChI=1S/C45H29N3O2/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)32-23-25-39-37(26-32)42-36(15-9-17-40(42)49-39)45-47-43(31-12-5-2-6-13-31)46-44(48-45)33-22-24-35-34-14-7-8-16-38(34)50-41(35)27-33/h1-27,44H,(H,46,47,48)
InChIKeyRDSGIPIPDCMCJT-UHFFFAOYSA-N
MW643.75 g/mol
LogP11.31
Rot. Bonds5

About 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine

4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 170249363) has the molecular formula C45H29N3O2 and a molecular weight of 643.75 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID170249363
Molecular FormulaC45H29N3O2
Molecular Weight643.75 g/mol
Exact Mass643.23
IUPAC Name4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3ccccc34)N=C(c3cccc4oc5ccc(-c6ccc(-c7ccccc7)cc6)cc5c34)N2)cc1
InChIInChI=1S/C45H29N3O2/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)32-23-25-39-37(26-32)42-36(15-9-17-40(42)49-39)45-47-43(31-12-5-2-6-13-31)46-44(48-45)33-22-24-35-34-14-7-8-16-38(34)50-41(35)27-33/h1-27,44H,(H,46,47,48)
InChIKeyRDSGIPIPDCMCJT-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

4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (CID 170249363) is 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(c3)oc3ccccc34)N=C(c3cccc4oc5ccc(-c6ccc(-c7ccccc7)cc6)cc5c34)N2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is RDSGIPIPDCMCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O2/c1-3-10-28(11-4-1)29-18-20-30(21-19-29)32-23-25-39-37(26-32)42-36(15-9-17-40(42)49-39)45-47-43(31-12-5-2-6-13-31)46-44(48-45)33-22-24-35-34-14-7-8-16-38(34)50-41(35)27-33/h1-27,44H,(H,46,47,48).
What are the key properties of 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
4-dibenzofuran-3-yl-2-phenyl-6-[8-(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 4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170249363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).