2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine

C49H33N3O — CID 170290357

IUPAC2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)N=C(c3cccc4oc5cc(-c6ccc7ccccc7c6)ccc5c34)N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)43-16-9-17-44-46(43)42-29-28-41(31-45(42)53-44)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,48H,(H,50,51,52)
InChIKeyUIKKXWUSWIIIEW-UHFFFAOYSA-N
MW679.82 g/mol
LogP12.24
Rot. Bonds6

About 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine

2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine (PubChem CID 170290357) has the molecular formula C49H33N3O and a molecular weight of 679.82 g/mol. Its IUPAC name is 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
PubChem CID170290357
Molecular FormulaC49H33N3O
Molecular Weight679.82 g/mol
Exact Mass679.26
IUPAC Name2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)N=C(c3cccc4oc5cc(-c6ccc7ccccc7c6)ccc5c34)N2)cc1
InChIInChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)43-16-9-17-44-46(43)42-29-28-41(31-45(42)53-44)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,48H,(H,50,51,52)
InChIKeyUIKKXWUSWIIIEW-UHFFFAOYSA-N
XLogP12.24
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.82
LogP ≤ 512.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
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
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 171054220
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
4-(7-naphthalen-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029303
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
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
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-naphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170266454
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014

Frequently Asked Questions

What is the IUPAC name of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine (CID 170290357) is 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)N=C(c3cccc4oc5cc(-c6ccc7ccccc7c6)ccc5c34)N2)cc1.
What is the InChIKey of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is UIKKXWUSWIIIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3O/c1-3-10-32(11-4-1)34-18-20-35(21-19-34)36-22-25-38(26-23-36)48-50-47(37-13-5-2-6-14-37)51-49(52-48)43-16-9-17-44-46(43)42-29-28-41(31-45(42)53-44)40-27-24-33-12-7-8-15-39(33)30-40/h1-31,48H,(H,50,51,52).
What are the key properties of 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine?
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 679.82 g/mol, XLogP of 12.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170290357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).