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

C45H31N3O3 — CID 146541694

IUPAC2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
SMILESc1ccc(C2NC(c3cccc4c3oc3ccccc34)NC(c3cccc4c3oc3c(-c5cccc6c5oc5ccccc56)cccc34)N2)cc1
InChIInChI=1S/C45H31N3O3/c1-2-12-26(13-3-1)43-46-44(35-22-10-17-30-28-15-5-7-25-38(28)50-41(30)35)48-45(47-43)36-23-11-21-34-33-20-9-19-32(40(33)51-42(34)36)31-18-8-16-29-27-14-4-6-24-37(27)49-39(29)31/h1-25,43-48H
InChIKeyLASMOYRPAWTEJU-UHFFFAOYSA-N
MW661.76 g/mol
LogP11.23
Rot. Bonds4

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

2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane (PubChem CID 146541694) has the molecular formula C45H31N3O3 and a molecular weight of 661.76 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
PubChem CID146541694
Molecular FormulaC45H31N3O3
Molecular Weight661.76 g/mol
Exact Mass661.24
IUPAC Name2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
SMILESc1ccc(C2NC(c3cccc4c3oc3ccccc34)NC(c3cccc4c3oc3c(-c5cccc6c5oc5ccccc56)cccc34)N2)cc1
InChIInChI=1S/C45H31N3O3/c1-2-12-26(13-3-1)43-46-44(35-22-10-17-30-28-15-5-7-25-38(28)50-41(30)35)48-45(47-43)36-23-11-21-34-33-20-9-19-32(40(33)51-42(34)36)31-18-8-16-29-27-14-4-6-24-37(27)49-39(29)31/h1-25,43-48H
InChIKeyLASMOYRPAWTEJU-UHFFFAOYSA-N
XLogP11.23
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.76
LogP ≤ 511.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541695
2-dibenzofuran-4-yl-4-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazinane
CID 146542425
2-dibenzofuran-1-yl-4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541780
2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541826
2-dibenzofuran-4-yl-4-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-6-phenyl-1,3,5-triazinane
CID 146542449
2-(6-dibenzofuran-3-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146542356
2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
CID 171597125
2-dibenzofuran-2-yl-4-(9-dibenzofuran-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazinane
CID 146541813
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazinane
CID 146542416
2-(8-dibenzofuran-2-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541786
2-(9-dibenzofuran-4-yldibenzothiophen-3-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazinane
CID 146542016
2-(8-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazinane
CID 146542433

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane?
The IUPAC name of 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane (CID 146541694) is 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane is c1ccc(C2NC(c3cccc4c3oc3ccccc34)NC(c3cccc4c3oc3c(-c5cccc6c5oc5ccccc56)cccc34)N2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane?
The InChIKey is LASMOYRPAWTEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O3/c1-2-12-26(13-3-1)43-46-44(35-22-10-17-30-28-15-5-7-25-38(28)50-41(30)35)48-45(47-43)36-23-11-21-34-33-20-9-19-32(40(33)51-42(34)36)31-18-8-16-29-27-14-4-6-24-37(27)49-39(29)31/h1-25,43-48H.
What are the key properties of 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane?
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane has a molecular weight of 661.76 g/mol, XLogP of 11.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane is sourced from PubChem (CID 146541694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).