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

C49H29N3O3 — CID 170250101

IUPAC2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)ccc2c1
InChIInChI=1S/C49H29N3O3/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(36-17-10-22-42-44(36)34-14-4-7-19-39(34)54-42)52-49(51-47)37-26-25-32(46-45(37)35-15-5-8-20-40(35)55-46)31-16-9-21-41-43(31)33-13-3-6-18-38(33)53-41/h1-27,48H,(H,50,51,52)
InChIKeyTYJRGSVNVCFZQE-UHFFFAOYSA-N
MW707.79 g/mol
LogP12.70
Rot. Bonds4

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

2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine (PubChem CID 170250101) has the molecular formula C49H29N3O3 and a molecular weight of 707.79 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
PubChem CID170250101
Molecular FormulaC49H29N3O3
Molecular Weight707.79 g/mol
Exact Mass707.22
IUPAC Name2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)ccc2c1
InChIInChI=1S/C49H29N3O3/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(36-17-10-22-42-44(36)34-14-4-7-19-39(34)54-42)52-49(51-47)37-26-25-32(46-45(37)35-15-5-8-20-40(35)55-46)31-16-9-21-41-43(31)33-13-3-6-18-38(33)53-41/h1-27,48H,(H,50,51,52)
InChIKeyTYJRGSVNVCFZQE-UHFFFAOYSA-N
XLogP12.70
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.79
LogP ≤ 512.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633
4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-3-yl-2-phenanthren-9-yl-1,2-dihydro-1,3,5-triazine
CID 170290652
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250309
2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
CID 170294238
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170294237
4-naphthalen-2-yl-6-phenanthren-2-yl-2-[4-(7-phenanthren-9-yldibenzofuran-1-yl)naphthalen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167029446
1-[2-(2-dibenzofuran-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-b]quinoline
CID 162035273
2,6-dinaphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170293576
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
8-naphthalen-2-yl-5-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 166801704

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine (CID 170250101) is 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4ccc(-c5cccc6oc7ccccc7c56)c5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
The InChIKey is TYJRGSVNVCFZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O3/c1-2-12-29-27-30(24-23-28(29)11-1)47-50-48(36-17-10-22-42-44(36)34-14-4-7-19-39(34)54-42)52-49(51-47)37-26-25-32(46-45(37)35-15-5-8-20-40(35)55-46)31-16-9-21-41-43(31)33-13-3-6-18-38(33)53-41/h1-27,48H,(H,50,51,52).
What are the key properties of 2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine has a molecular weight of 707.79 g/mol, XLogP of 12.70, 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-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170250101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).