N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine

C51H32N2O2 — CID 176785451

IUPACN-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6oc(-c7ccc8c(c7)oc7ccccc78)nc56)cc4)c4ccc5ccccc5c4)cc3)ccc2c1
InChIInChI=1S/C51H32N2O2/c1-3-10-37-30-39(17-16-33(37)8-1)35-18-24-41(25-19-35)53(43-28-20-34-9-2-4-11-38(34)31-43)42-26-21-36(22-27-42)44-13-7-15-48-50(44)52-51(55-48)40-23-29-46-45-12-5-6-14-47(45)54-49(46)32-40/h1-32H
InChIKeyZWTBPBXQGFVNGM-UHFFFAOYSA-N
MW704.83 g/mol
LogP14.50
Rot. Bonds6

About N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine

N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine (PubChem CID 176785451) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
PubChem CID176785451
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC NameN-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6oc(-c7ccc8c(c7)oc7ccccc78)nc56)cc4)c4ccc5ccccc5c4)cc3)ccc2c1
InChIInChI=1S/C51H32N2O2/c1-3-10-37-30-39(17-16-33(37)8-1)35-18-24-41(25-19-35)53(43-28-20-34-9-2-4-11-38(34)31-43)42-26-21-36(22-27-42)44-13-7-15-48-50(44)52-51(55-48)40-23-29-46-45-12-5-6-14-47(45)54-49(46)32-40/h1-32H
InChIKeyZWTBPBXQGFVNGM-UHFFFAOYSA-N
XLogP14.50
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-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

N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 176785731
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
CID 176785495
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 176785926
N-(4-naphthalen-2-ylphenyl)-N-tetraphenylen-2-yldibenzofuran-3-amine
CID 139297893
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine (CID 176785451) is N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine is c1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6oc(-c7ccc8c(c7)oc7ccccc78)nc56)cc4)c4ccc5ccccc5c4)cc3)ccc2c1.
What is the InChIKey of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
The InChIKey is ZWTBPBXQGFVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-3-10-37-30-39(17-16-33(37)8-1)35-18-24-41(25-19-35)53(43-28-20-34-9-2-4-11-38(34)31-43)42-26-21-36(22-27-42)44-13-7-15-48-50(44)52-51(55-48)40-23-29-46-45-12-5-6-14-47(45)54-49(46)32-40/h1-32H.
What are the key properties of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine?
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine has a molecular weight of 704.83 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 176785451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).