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

C51H32N2O2 — CID 176785731

IUPACN-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6oc(-c7ccc8c(c7)oc7ccccc78)nc56)cc4)c4cccc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C51H32N2O2/c1-2-11-37-31-38(20-19-33(37)9-1)34-21-26-40(27-22-34)53(46-16-7-12-35-10-3-4-13-42(35)46)41-28-23-36(24-29-41)43-15-8-18-48-50(43)52-51(55-48)39-25-30-45-44-14-5-6-17-47(44)54-49(45)32-39/h1-32H
InChIKeySODGYJLVZOIQOL-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-1-amine

N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine (PubChem CID 176785731) 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-1-amine.

Molecular Properties

Compound NameN-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
PubChem CID176785731
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-1-amine
SMILESc1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6oc(-c7ccc8c(c7)oc7ccccc78)nc56)cc4)c4cccc5ccccc45)cc3)ccc2c1
InChIInChI=1S/C51H32N2O2/c1-2-11-37-31-38(20-19-33(37)9-1)34-21-26-40(27-22-34)53(46-16-7-12-35-10-3-4-13-42(35)46)41-28-23-36(24-29-41)43-15-8-18-48-50(43)52-51(55-48)39-25-30-45-44-14-5-6-17-47(44)54-49(45)32-39/h1-32H
InChIKeySODGYJLVZOIQOL-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-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

N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 176785451
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 176785926
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-phenylaniline
CID 166565627
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-2-(2-phenylphenyl)aniline
CID 166565866
2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324734
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-(8-phenylnaphthalen-1-yl)aniline
CID 170301545
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785892
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-dibenzofuran-1-yl-N-[6-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-7-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 171410290
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131

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-1-amine?
The IUPAC name of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine (CID 176785731) is N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-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-1-amine?
The canonical SMILES for N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine is c1ccc2cc(-c3ccc(N(c4ccc(-c5cccc6oc(-c7ccc8c(c7)oc7ccccc78)nc56)cc4)c4cccc5ccccc45)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-1-amine?
The InChIKey is SODGYJLVZOIQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-2-11-37-31-38(20-19-33(37)9-1)34-21-26-40(27-22-34)53(46-16-7-12-35-10-3-4-13-42(35)46)41-28-23-36(24-29-41)43-15-8-18-48-50(43)52-51(55-48)39-25-30-45-44-14-5-6-17-47(44)54-49(45)32-39/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-1-amine?
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-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-1-amine is sourced from PubChem (CID 176785731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).