N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine

C53H32N2O3 — CID 171755442

IUPACN-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3ccc(-c4ccc5oc6cc7ccccc7c(-c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)cc7)c6c5c4)cc3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-11-34(12-4-1)53-54-45-27-21-36(30-49(45)58-53)35-22-28-47-44(29-35)52-50(57-47)31-37-13-7-8-16-41(37)51(52)33-19-23-39(24-20-33)55(38-14-5-2-6-15-38)40-25-26-43-42-17-9-10-18-46(42)56-48(43)32-40/h1-32H
InChIKeyYOPRJWZYDIWSRX-UHFFFAOYSA-N
MW744.85 g/mol
LogP15.25
Rot. Bonds6

About N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine

N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine (PubChem CID 171755442) has the molecular formula C53H32N2O3 and a molecular weight of 744.85 g/mol. Its IUPAC name is N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine
PubChem CID171755442
Molecular FormulaC53H32N2O3
Molecular Weight744.85 g/mol
Exact Mass744.24
IUPAC NameN-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2nc3ccc(-c4ccc5oc6cc7ccccc7c(-c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)cc7)c6c5c4)cc3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-11-34(12-4-1)53-54-45-27-21-36(30-49(45)58-53)35-22-28-47-44(29-35)52-50(57-47)31-37-13-7-8-16-41(37)51(52)33-19-23-39(24-20-33)55(38-14-5-2-6-15-38)40-25-26-43-42-17-9-10-18-46(42)56-48(43)32-40/h1-32H
InChIKeyYOPRJWZYDIWSRX-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 N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-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-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine
CID 171755327
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine
CID 171755457
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
N-(4-dibenzofuran-3-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743053
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine
CID 171736374
2-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[3,2-b][1]benzofuran-11-amine
CID 171754383
N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129536

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine (CID 171755442) is N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine is c1ccc(-c2nc3ccc(-c4ccc5oc6cc7ccccc7c(-c7ccc(N(c8ccccc8)c8ccc9c(c8)oc8ccccc89)cc7)c6c5c4)cc3o2)cc1.
What is the InChIKey of N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine?
The InChIKey is YOPRJWZYDIWSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O3/c1-3-11-34(12-4-1)53-54-45-27-21-36(30-49(45)58-53)35-22-28-47-44(29-35)52-50(57-47)31-37-13-7-8-16-41(37)51(52)33-19-23-39(24-20-33)55(38-14-5-2-6-15-38)40-25-26-43-42-17-9-10-18-46(42)56-48(43)32-40/h1-32H.
What are the key properties of N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine?
N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-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 N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 171755442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).