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

C51H33N3O — CID 170122520

IUPAC2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4c3)n2)CCc2ccccc21
InChIInChI=1S/C51H33N3O/c1-2-13-36-29-38(28-23-32(36)11-1)50-52-49(35-26-24-34(25-27-35)41-19-9-15-33-12-3-5-16-40(33)41)53-51(54-50)39-30-37-14-4-6-17-42(37)45(31-39)43-20-10-22-47-48(43)44-18-7-8-21-46(44)55-47/h1-22,24-27,29-31H,23,28H2
InChIKeyANHPNTLEWKOBPC-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.23
Rot. Bonds5

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

2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 170122520) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID170122520
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESC1=C(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4c3)n2)CCc2ccccc21
InChIInChI=1S/C51H33N3O/c1-2-13-36-29-38(28-23-32(36)11-1)50-52-49(35-26-24-34(25-27-35)41-19-9-15-33-12-3-5-16-40(33)41)53-51(54-50)39-30-37-14-4-6-17-42(37)45(31-39)43-20-10-22-47-48(43)44-18-7-8-21-46(44)55-47/h1-22,24-27,29-31H,23,28H2
InChIKeyANHPNTLEWKOBPC-UHFFFAOYSA-N
XLogP13.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 167182994
2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741639
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743692
2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(5-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(8-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164978651
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 166741746
2-(8-dibenzofuran-3-ylnaphthalen-2-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164985113
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-(4-dibenzofuran-1-ylphenyl)-4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 171054302
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170016837
2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166741750

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 170122520) is 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is C1=C(c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cc(-c4cccc5oc6ccccc6c45)c4ccccc4c3)n2)CCc2ccccc21.
What is the InChIKey of 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is ANHPNTLEWKOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-2-13-36-29-38(28-23-32(36)11-1)50-52-49(35-26-24-34(25-27-35)41-19-9-15-33-12-3-5-16-40(33)41)53-51(54-50)39-30-37-14-4-6-17-42(37)45(31-39)43-20-10-22-47-48(43)44-18-7-8-21-46(44)55-47/h1-22,24-27,29-31H,23,28H2.
What are the key properties of 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 13.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170122520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).