2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine

C50H31N3O3 — CID 170130251

IUPAC2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESCC1C=Cc2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4c(-c5cccc6oc7ccccc7c56)ccc5oc6ccccc6c45)n3)cc2C1
InChIInChI=1S/C50H31N3O3/c1-28-20-21-29-22-23-30(27-31(29)26-28)48-51-49(37-14-9-19-42-45(37)35-11-3-6-16-39(35)55-42)53-50(52-48)47-33(24-25-43-46(47)36-12-4-7-17-40(36)56-43)32-13-8-18-41-44(32)34-10-2-5-15-38(34)54-41/h2-25,27-28H,26H2,1H3
InChIKeyINBZUXHAJKAYNQ-UHFFFAOYSA-N
MW721.82 g/mol
LogP13.44
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine (PubChem CID 170130251) has the molecular formula C50H31N3O3 and a molecular weight of 721.82 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine
PubChem CID170130251
Molecular FormulaC50H31N3O3
Molecular Weight721.82 g/mol
Exact Mass721.24
IUPAC Name2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine
SMILESCC1C=Cc2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4c(-c5cccc6oc7ccccc7c56)ccc5oc6ccccc6c45)n3)cc2C1
InChIInChI=1S/C50H31N3O3/c1-28-20-21-29-22-23-30(27-31(29)26-28)48-51-49(37-14-9-19-42-45(37)35-11-3-6-16-39(35)55-42)53-50(52-48)47-33(24-25-43-46(47)36-12-4-7-17-40(36)56-43)32-13-8-18-41-44(32)34-10-2-5-15-38(34)54-41/h2-25,27-28H,26H2,1H3
InChIKeyINBZUXHAJKAYNQ-UHFFFAOYSA-N
XLogP13.44
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.82
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-[3-(7,8-dihydronaphthalen-2-yl)-4-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170020099
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-dibenzothiophen-4-yl-4-[2-(7,8-dihydronaphthalen-2-yl)dibenzofuran-1-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 170011285
2-(2-dibenzofuran-3-yldibenzofuran-1-yl)-4-[6-[(4S)-4-methylcyclohexa-1,5-dien-1-yl]-5,6-dihydronaphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174001218
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-methyl-1,3,5-triazine
CID 118888311
2-dibenzofuran-1-yl-4-(5,6-dihydronaphthalen-2-yl)-6-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167007600
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167182670
2-dibenzofuran-2-yl-4,6-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 156522941
2-dibenzofuran-1-yl-4-(4-methylcyclohexa-1,5-dien-1-yl)-6-(4-naphthalen-2-yl-3-phenylphenyl)-1,3,5-triazine
CID 170129891
2,4-di(dibenzofuran-1-yl)-6-phenanthren-3-yl-1,3,5-triazine
CID 165043779
2-dibenzofuran-2-yl-4-(2-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743290

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine (CID 170130251) is 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine is CC1C=Cc2ccc(-c3nc(-c4cccc5oc6ccccc6c45)nc(-c4c(-c5cccc6oc7ccccc7c56)ccc5oc6ccccc6c45)n3)cc2C1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is INBZUXHAJKAYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3O3/c1-28-20-21-29-22-23-30(27-31(29)26-28)48-51-49(37-14-9-19-42-45(37)35-11-3-6-16-39(35)55-42)53-50(52-48)47-33(24-25-43-46(47)36-12-4-7-17-40(36)56-43)32-13-8-18-41-44(32)34-10-2-5-15-38(34)54-41/h2-25,27-28H,26H2,1H3.
What are the key properties of 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 721.82 g/mol, XLogP of 13.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(2-dibenzofuran-1-yldibenzofuran-1-yl)-6-(7-methyl-7,8-dihydronaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170130251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).