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

C41H27N3O — CID 171054220

IUPAC2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4ccc(-c5cccc6ccccc56)cc4)N=C(c4cccc5oc6ccccc6c45)N3)ccc2c1
InChIInChI=1S/C41H27N3O/c1-2-11-30-25-31(24-19-26(30)9-1)40-42-39(29-22-20-28(21-23-29)33-15-7-12-27-10-3-4-13-32(27)33)43-41(44-40)35-16-8-18-37-38(35)34-14-5-6-17-36(34)45-37/h1-25,39H,(H,42,43,44)
InChIKeyOGUSXHKCQYHZDC-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.05
Rot. Bonds4

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

2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 171054220) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID171054220
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4ccc(-c5cccc6ccccc56)cc4)N=C(c4cccc5oc6ccccc6c45)N3)ccc2c1
InChIInChI=1S/C41H27N3O/c1-2-11-30-25-31(24-19-26(30)9-1)40-42-39(29-22-20-28(21-23-29)33-15-7-12-27-10-3-4-13-32(27)33)43-41(44-40)35-16-8-18-37-38(35)34-14-5-6-17-36(34)45-37/h1-25,39H,(H,42,43,44)
InChIKeyOGUSXHKCQYHZDC-UHFFFAOYSA-N
XLogP10.05
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
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-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
9-(4-naphthalen-2-yl-6-phenanthren-3-yl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 172508104
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
9-(6-chrysen-3-yl-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]pyridine
CID 166801457
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
9-[4-naphthalen-2-yl-6-(4-naphthalen-2-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 166801462

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine (CID 171054220) is 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4ccc(-c5cccc6ccccc56)cc4)N=C(c4cccc5oc6ccccc6c45)N3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is OGUSXHKCQYHZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-2-11-30-25-31(24-19-26(30)9-1)40-42-39(29-22-20-28(21-23-29)33-15-7-12-27-10-3-4-13-32(27)33)43-41(44-40)35-16-8-18-37-38(35)34-14-5-6-17-36(34)45-37/h1-25,39H,(H,42,43,44).
What are the key properties of 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine?
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 577.69 g/mol, XLogP of 10.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 171054220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).