1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine

C52H35N3O — CID 166974624

IUPAC1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35N3O/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)55(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-46(51-45-23-13-14-24-49(45)56-50(51)34-44)48-35-47(40-19-9-3-10-20-40)53-52(54-48)41-21-11-4-12-22-41/h1-35H
InChIKeyNMVKKZNYSGAGBK-UHFFFAOYSA-N
MW717.87 g/mol
LogP14.18
Rot. Bonds8

About 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine

1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 166974624) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID166974624
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H35N3O/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)55(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-46(51-45-23-13-14-24-49(45)56-50(51)34-44)48-35-47(40-19-9-3-10-20-40)53-52(54-48)41-21-11-4-12-22-41/h1-35H
InChIKeyNMVKKZNYSGAGBK-UHFFFAOYSA-N
XLogP14.18
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253213
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170253216
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 154938603
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
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-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853971
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine (CID 166974624) is 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is NMVKKZNYSGAGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-5-15-36(16-6-1)38-25-29-42(30-26-38)55(43-31-27-39(28-32-43)37-17-7-2-8-18-37)44-33-46(51-45-23-13-14-24-49(45)56-50(51)34-44)48-35-47(40-19-9-3-10-20-40)53-52(54-48)41-21-11-4-12-22-41/h1-35H.
What are the key properties of 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine?
1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 717.87 g/mol, XLogP of 14.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylpyrimidin-4-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 166974624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).