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

C53H32N2O3 — CID 167123306

IUPAC2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4oc5ccccc5c4c4nc(-c5ccc6oc7ccccc7c6c5)oc34)c2)cc1
InChIInChI=1S/C53H32N2O3/c1-2-11-33(12-3-1)37-15-10-16-41(30-37)55(40-26-23-35(24-27-40)38-22-21-34-13-4-5-14-36(34)29-38)45-32-49-50(43-18-7-9-20-47(43)57-49)51-52(45)58-53(54-51)39-25-28-48-44(31-39)42-17-6-8-19-46(42)56-48/h1-32H
InChIKeyMNXQTYBUPUZDFZ-UHFFFAOYSA-N
MW744.85 g/mol
LogP15.25
Rot. Bonds6

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

2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine (PubChem CID 167123306) has the molecular formula C53H32N2O3 and a molecular weight of 744.85 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
PubChem CID167123306
Molecular FormulaC53H32N2O3
Molecular Weight744.85 g/mol
Exact Mass744.24
IUPAC Name2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4oc5ccccc5c4c4nc(-c5ccc6oc7ccccc7c6c5)oc34)c2)cc1
InChIInChI=1S/C53H32N2O3/c1-2-11-33(12-3-1)37-15-10-16-41(30-37)55(40-26-23-35(24-27-40)38-22-21-34-13-4-5-14-36(34)29-38)45-32-49-50(43-18-7-9-20-47(43)57-49)51-52(45)58-53(54-51)39-25-28-48-44(31-39)42-17-6-8-19-46(42)56-48/h1-32H
InChIKeyMNXQTYBUPUZDFZ-UHFFFAOYSA-N
XLogP15.25
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-(4-dibenzofuran-2-ylphenyl)-3-naphtho[2,1-g][1,3]benzoxazol-2-yl-N-phenylaniline
CID 177119767
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
4-[3,5-di(dibenzofuran-2-yl)phenyl]-N,N-diphenylaniline;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 160762815
N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 176587466
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N-naphthalen-2-yl-N-[3-[8-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]naphthalen-2-amine
CID 130208137
N-naphthalen-2-yl-N,16-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050314

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine?
The IUPAC name of 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine (CID 167123306) is 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine.
What is the SMILES notation for 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine?
The canonical SMILES for 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4oc5ccccc5c4c4nc(-c5ccc6oc7ccccc7c6c5)oc34)c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine?
The InChIKey is MNXQTYBUPUZDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O3/c1-2-11-33(12-3-1)37-15-10-16-41(30-37)55(40-26-23-35(24-27-40)38-22-21-34-13-4-5-14-36(34)29-38)45-32-49-50(43-18-7-9-20-47(43)57-49)51-52(45)58-53(54-51)39-25-28-48-44(31-39)42-17-6-8-19-46(42)56-48/h1-32H.
What are the key properties of 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine?
2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine has a molecular weight of 744.85 g/mol, XLogP of 15.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-4-amine is sourced from PubChem (CID 167123306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).