2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane

C39H29N3O2 — CID 171597125

IUPAC2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4c(c3)oc3cc(-c5cccc6c5oc5ccccc56)ccc34)N2)cc1
InChIInChI=1S/C39H29N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-19-21-31-30-20-18-26(22-34(30)43-35(31)23-27)28-15-9-16-32-29-14-7-8-17-33(29)44-36(28)32/h1-23,37-42H
InChIKeyFODJNYBNUJSIJJ-UHFFFAOYSA-N
MW571.68 g/mol
LogP9.33
Rot. Bonds4

About 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane

2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane (PubChem CID 171597125) has the molecular formula C39H29N3O2 and a molecular weight of 571.68 g/mol. Its IUPAC name is 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane.

Molecular Properties

Compound Name2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
PubChem CID171597125
Molecular FormulaC39H29N3O2
Molecular Weight571.68 g/mol
Exact Mass571.23
IUPAC Name2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4c(c3)oc3cc(-c5cccc6c5oc5ccccc56)ccc34)N2)cc1
InChIInChI=1S/C39H29N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-19-21-31-30-20-18-26(22-34(30)43-35(31)23-27)28-15-9-16-32-29-14-7-8-17-33(29)44-36(28)32/h1-23,37-42H
InChIKeyFODJNYBNUJSIJJ-UHFFFAOYSA-N
XLogP9.33
TPSA62.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 59.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-2-yl-4-(9-dibenzofuran-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazinane
CID 146541813
2-(8-dibenzofuran-4-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541811
2-dibenzofuran-3-yl-4-(8-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541826
2-(8-dibenzofuran-4-yldibenzofuran-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazinane
CID 146542068
2-dibenzofuran-4-yl-4-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-6-phenyl-1,3,5-triazinane
CID 146542449
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazinane
CID 146542416
2-(6-dibenzofuran-3-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146542356
2-(8-dibenzothiophen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
CID 171597389
7,19-di(dibenzofuran-4-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 149458315
3-[4-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazinan-2-yl]benzonitrile
CID 145085605
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541694

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane?
The IUPAC name of 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane (CID 171597125) is 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane.
What is the SMILES notation for 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane?
The canonical SMILES for 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane is c1ccc(C2NC(c3ccccc3)NC(c3ccc4c(c3)oc3cc(-c5cccc6c5oc5ccccc56)ccc34)N2)cc1.
What is the InChIKey of 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane?
The InChIKey is FODJNYBNUJSIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29N3O2/c1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)27-19-21-31-30-20-18-26(22-34(30)43-35(31)23-27)28-15-9-16-32-29-14-7-8-17-33(29)44-36(28)32/h1-23,37-42H.
What are the key properties of 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane?
2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane has a molecular weight of 571.68 g/mol, XLogP of 9.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane is sourced from PubChem (CID 171597125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).