2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine

C41H27N3O — CID 174316211

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)Cc2c1cc(-c1ccccc1)c1ccccc21
InChIInChI=1S/C41H27N3O/c1-3-12-26(13-4-1)34-24-28-22-23-29(25-35(28)31-17-8-7-16-30(31)34)40-42-39(27-14-5-2-6-15-27)43-41(44-40)33-19-11-21-37-38(33)32-18-9-10-20-36(32)45-37/h1-24,29H,25H2
InChIKeyXGORBBJJZXFKMC-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.28
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine (PubChem CID 174316211) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
PubChem CID174316211
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)Cc2c1cc(-c1ccccc1)c1ccccc21
InChIInChI=1S/C41H27N3O/c1-3-12-26(13-4-1)34-24-28-22-23-29(25-35(28)31-17-8-7-16-30(31)34)40-42-39(27-14-5-2-6-15-27)43-41(44-40)33-19-11-21-37-38(33)32-18-9-10-20-36(32)45-37/h1-24,29H,25H2
InChIKeyXGORBBJJZXFKMC-UHFFFAOYSA-N
XLogP10.28
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-dibenzofuran-1-yldibenzofuran-1-yl)-4-(1,2-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170009033
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-(1,2-dihydronaphthalen-2-yl)-4-(9-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009870
2-(1,2-dihydronaphthalen-2-yl)-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170422642
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-(1,2-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 170013631
2-(7-dibenzofuran-1-yl-1,2-dihydronaphthalen-2-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167182670
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-(1,2-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 170123189
2-(4-dibenzofuran-1-yl-1,2-dihydrodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 142615062
2-[9-(2-dibenzofuran-1-ylphenyl)-3,4-dihydrodibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192008
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine (CID 174316211) is 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine is C1=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)Cc2c1cc(-c1ccccc1)c1ccccc21.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine?
The InChIKey is XGORBBJJZXFKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-3-12-26(13-4-1)34-24-28-22-23-29(25-35(28)31-17-8-7-16-30(31)34)40-42-39(27-14-5-2-6-15-27)43-41(44-40)33-19-11-21-37-38(33)32-18-9-10-20-36(32)45-37/h1-24,29H,25H2.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine has a molecular weight of 577.69 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-(9-phenyl-3,4-dihydrophenanthren-3-yl)-1,3,5-triazine is sourced from PubChem (CID 174316211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).