1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

C49H32N4O — CID 162775174

IUPAC1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H32N4O/c1-4-14-33(15-5-1)35-24-27-39(28-25-35)53(40-29-26-34-16-10-11-21-38(34)30-40)41-31-43(46-42-22-12-13-23-44(42)54-45(46)32-41)49-51-47(36-17-6-2-7-18-36)50-48(52-49)37-19-8-3-9-20-37/h1-32H
InChIKeyXPZLFTQFUWVVGT-UHFFFAOYSA-N
MW692.82 g/mol
LogP13.06
Rot. Bonds7

About 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine

1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 162775174) has the molecular formula C49H32N4O and a molecular weight of 692.82 g/mol. Its IUPAC name is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID162775174
Molecular FormulaC49H32N4O
Molecular Weight692.82 g/mol
Exact Mass692.26
IUPAC Name1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C49H32N4O/c1-4-14-33(15-5-1)35-24-27-39(28-25-35)53(40-29-26-34-16-10-11-21-38(34)30-40)41-31-43(46-42-22-12-13-23-44(42)54-45(46)32-41)49-51-47(36-17-6-2-7-18-36)50-48(52-49)37-19-8-3-9-20-37/h1-32H
InChIKeyXPZLFTQFUWVVGT-UHFFFAOYSA-N
XLogP13.06
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853565
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853769
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853971
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253216
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 154938603
1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176854014
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 166974624

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 162775174) is 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is XPZLFTQFUWVVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4O/c1-4-14-33(15-5-1)35-24-27-39(28-25-35)53(40-29-26-34-16-10-11-21-38(34)30-40)41-31-43(46-42-22-12-13-23-44(42)54-45(46)32-41)49-51-47(36-17-6-2-7-18-36)50-48(52-49)37-19-8-3-9-20-37/h1-32H.
What are the key properties of 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine?
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 692.82 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 162775174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).