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

C47H29N3O2 — CID 167402276

IUPAC2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4cc(-c5ccc6ccccc6c5)c5c(c4)oc4ccccc45)N=C(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1
InChIInChI=1S/C47H29N3O2/c1-3-11-30-23-32(19-17-28(30)9-1)39-25-35(27-43-44(39)38-14-6-8-16-41(38)52-43)47-49-45(33-20-18-29-10-2-4-12-31(29)24-33)48-46(50-47)34-21-22-37-36-13-5-7-15-40(36)51-42(37)26-34/h1-27,47H,(H,48,49,50)
InChIKeyHZUDKWOMFNRJMQ-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.95
Rot. Bonds4

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

2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 167402276) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID167402276
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4cc(-c5ccc6ccccc6c5)c5c(c4)oc4ccccc45)N=C(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1
InChIInChI=1S/C47H29N3O2/c1-3-11-30-23-32(19-17-28(30)9-1)39-25-35(27-43-44(39)38-14-6-8-16-41(38)52-43)47-49-45(33-20-18-29-10-2-4-12-31(29)24-33)48-46(50-47)34-21-22-37-36-13-5-7-15-40(36)51-42(37)26-34/h1-27,47H,(H,48,49,50)
InChIKeyHZUDKWOMFNRJMQ-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

4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029289

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine (CID 167402276) is 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4cc(-c5ccc6ccccc6c5)c5c(c4)oc4ccccc45)N=C(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is HZUDKWOMFNRJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-3-11-30-23-32(19-17-28(30)9-1)39-25-35(27-43-44(39)38-14-6-8-16-41(38)52-43)47-49-45(33-20-18-29-10-2-4-12-31(29)24-33)48-46(50-47)34-21-22-37-36-13-5-7-15-40(36)51-42(37)26-34/h1-27,47H,(H,48,49,50).
What are the key properties of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-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-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167402276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).