7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine

C50H33N3O — CID 170383587

IUPAC7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc(-c6nc(-c7ccccc7)cc(-c7ccc8ccccc8c7)n6)ccc5c34)cc2)cc1
InChIInChI=1S/C50H33N3O/c1-4-13-34(14-5-1)36-25-28-42(29-26-36)53(41-19-8-3-9-20-41)46-21-12-22-47-49(46)43-30-27-40(32-48(43)54-47)50-51-44(37-16-6-2-7-17-37)33-45(52-50)39-24-23-35-15-10-11-18-38(35)31-39/h1-33H
InChIKeyUBIBUMGBZOAHDO-UHFFFAOYSA-N
MW691.83 g/mol
LogP13.67
Rot. Bonds7

About 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine

7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 170383587) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID170383587
Molecular FormulaC50H33N3O
Molecular Weight691.83 g/mol
Exact Mass691.26
IUPAC Name7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc(-c6nc(-c7ccccc7)cc(-c7ccc8ccccc8c7)n6)ccc5c34)cc2)cc1
InChIInChI=1S/C50H33N3O/c1-4-13-34(14-5-1)36-25-28-42(29-26-36)53(41-19-8-3-9-20-41)46-21-12-22-47-49(46)43-30-27-40(32-48(43)54-47)50-51-44(37-16-6-2-7-17-37)33-45(52-50)39-24-23-35-15-10-11-18-38(35)31-39/h1-33H
InChIKeyUBIBUMGBZOAHDO-UHFFFAOYSA-N
XLogP13.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383591
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
2-dibenzofuran-3-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465791
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069406
9,9-dimethyl-N-[4-[9-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylfluoren-2-amine
CID 170093188
N-[3-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166974750
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-c]pyridin-5-amine
CID 166860583
N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605759
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369

Frequently Asked Questions

What is the IUPAC name of 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 170383587) is 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cccc4oc5cc(-c6nc(-c7ccccc7)cc(-c7ccc8ccccc8c7)n6)ccc5c34)cc2)cc1.
What is the InChIKey of 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is UBIBUMGBZOAHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-4-13-34(14-5-1)36-25-28-42(29-26-36)53(41-19-8-3-9-20-41)46-21-12-22-47-49(46)43-30-27-40(32-48(43)54-47)50-51-44(37-16-6-2-7-17-37)33-45(52-50)39-24-23-35-15-10-11-18-38(35)31-39/h1-33H.
What are the key properties of 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine?
7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 691.83 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 170383587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).