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

C47H29N3O2 — CID 170249633

IUPAC2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)ccc2c1
InChIInChI=1S/C47H29N3O2/c1-3-12-30-26-32(22-20-28(30)10-1)34-24-25-38(43-36-15-6-8-18-40(36)52-44(34)43)47-49-45(33-23-21-29-11-2-4-13-31(29)27-33)48-46(50-47)37-16-9-19-41-42(37)35-14-5-7-17-39(35)51-41/h1-27,46H,(H,48,49,50)
InChIKeyIEOOFULQAPUCDS-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.95
Rot. Bonds4

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

2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine (PubChem CID 170249633) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
PubChem CID170249633
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)ccc2c1
InChIInChI=1S/C47H29N3O2/c1-3-12-30-26-32(22-20-28(30)10-1)34-24-25-38(43-36-15-6-8-18-40(36)52-44(34)43)47-49-45(33-23-21-29-11-2-4-13-31(29)27-33)48-46(50-47)37-16-9-19-41-42(37)35-14-5-7-17-39(35)51-41/h1-27,46H,(H,48,49,50)
InChIKeyIEOOFULQAPUCDS-UHFFFAOYSA-N
XLogP11.95
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-3-yl-2-phenanthren-9-yl-1,2-dihydro-1,3,5-triazine
CID 170290652
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-[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
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
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
CID 170294238
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-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170294290
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
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine (CID 170249633) is 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4ccc(-c5ccc6ccccc6c5)c5oc6ccccc6c45)=NC(c4cccc5oc6ccccc6c45)N3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is IEOOFULQAPUCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-3-12-30-26-32(22-20-28(30)10-1)34-24-25-38(43-36-15-6-8-18-40(36)52-44(34)43)47-49-45(33-23-21-29-11-2-4-13-31(29)27-33)48-46(50-47)37-16-9-19-41-42(37)35-14-5-7-17-39(35)51-41/h1-27,46H,(H,48,49,50).
What are the key properties of 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 667.77 g/mol, XLogP of 11.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170249633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).