N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline

C53H34N2O2 — CID 171754798

IUPACN-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccc(-c7ccc(-c8nc9ccccc9o8)cc7)cc6oc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-3-11-35(12-4-1)36-23-28-42(29-24-36)55(41-13-5-2-6-14-41)43-30-25-38(26-31-43)47-34-48-45-32-27-40(33-51(45)56-52(48)46-16-8-7-15-44(46)47)37-19-21-39(22-20-37)53-54-49-17-9-10-18-50(49)57-53/h1-34H
InChIKeyFUKWFTKEORNYFE-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

About N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline

N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline (PubChem CID 171754798) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
PubChem CID171754798
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC NameN-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccc(-c7ccc(-c8nc9ccccc9o8)cc7)cc6oc5c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-3-11-35(12-4-1)36-23-28-42(29-24-36)55(41-13-5-2-6-14-41)43-30-25-38(26-31-43)47-34-48-45-32-27-40(33-51(45)56-52(48)46-16-8-7-15-44(46)47)37-19-21-39(22-20-37)53-54-49-17-9-10-18-50(49)57-53/h1-34H
InChIKeyFUKWFTKEORNYFE-UHFFFAOYSA-N
XLogP15.02
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline 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-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887
N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 171755349
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
N-[4-[8-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 171755363
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
N,4-diphenyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]aniline
CID 171754733
3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754352
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]aniline
CID 167143212
N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine
CID 171754872

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline (CID 171754798) is N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c6ccc(-c7ccc(-c8nc9ccccc9o8)cc7)cc6oc5c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is FUKWFTKEORNYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-3-11-35(12-4-1)36-23-28-42(29-24-36)55(41-13-5-2-6-14-41)43-30-25-38(26-31-43)47-34-48-45-32-27-40(33-51(45)56-52(48)46-16-8-7-15-44(46)47)37-19-21-39(22-20-37)53-54-49-17-9-10-18-50(49)57-53/h1-34H.
What are the key properties of N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline?
N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 730.87 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 171754798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).