2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine

C45H27N3O3 — CID 148787787

IUPAC2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6oc7ccccc7c6c5)cccc34)=NC(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H27N3O3/c1-2-11-26(12-3-1)43-46-44(33-18-10-22-39-40(33)32-14-5-7-21-37(32)50-39)48-45(47-43)34-19-9-17-31-30-16-8-15-28(41(30)51-42(31)34)27-23-24-38-35(25-27)29-13-4-6-20-36(29)49-38/h1-25,44H,(H,46,47,48)
InChIKeyOLOORDUXIOSWHB-UHFFFAOYSA-N
MW657.73 g/mol
LogP11.55
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine

2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 148787787) has the molecular formula C45H27N3O3 and a molecular weight of 657.73 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID148787787
Molecular FormulaC45H27N3O3
Molecular Weight657.73 g/mol
Exact Mass657.21
IUPAC Name2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6oc7ccccc7c6c5)cccc34)=NC(c3cccc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H27N3O3/c1-2-11-26(12-3-1)43-46-44(33-18-10-22-39-40(33)32-14-5-7-21-37(32)50-39)48-45(47-43)34-19-9-17-31-30-16-8-15-28(41(30)51-42(31)34)27-23-24-38-35(25-27)29-13-4-6-20-36(29)49-38/h1-25,44H,(H,46,47,48)
InChIKeyOLOORDUXIOSWHB-UHFFFAOYSA-N
XLogP11.55
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.73
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156575051
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170145482
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
9-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenyldibenzofuran-3-amine
CID 170079403
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine (CID 148787787) is 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4c3oc3c(-c5ccc6oc7ccccc7c6c5)cccc34)=NC(c3cccc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is OLOORDUXIOSWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O3/c1-2-11-26(12-3-1)43-46-44(33-18-10-22-39-40(33)32-14-5-7-21-37(32)50-39)48-45(47-43)34-19-9-17-31-30-16-8-15-28(41(30)51-42(31)34)27-23-24-38-35(25-27)29-13-4-6-20-36(29)49-38/h1-25,44H,(H,46,47,48).
What are the key properties of 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 657.73 g/mol, XLogP of 11.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 148787787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).