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

C53H32N2O3 — CID 171755457

IUPACN-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2nc3ccc(-c4ccc5c(c4)oc4c(-c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6)c6ccccc6cc45)cc3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-44-29-25-36(32-49(44)58-53)35-24-28-41-43-30-37-14-7-8-17-40(37)50(52(43)57-48(41)31-35)33-22-26-39(27-23-33)55(38-15-5-2-6-16-38)45-19-11-21-47-51(45)42-18-9-10-20-46(42)56-47/h1-32H
InChIKeyQFRAMUQMLYYOBI-UHFFFAOYSA-N
MW744.85 g/mol
LogP15.25
Rot. Bonds6

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

N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine (PubChem CID 171755457) has the molecular formula C53H32N2O3 and a molecular weight of 744.85 g/mol. Its IUPAC name is N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine
PubChem CID171755457
Molecular FormulaC53H32N2O3
Molecular Weight744.85 g/mol
Exact Mass744.24
IUPAC NameN-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2nc3ccc(-c4ccc5c(c4)oc4c(-c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6)c6ccccc6cc45)cc3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-44-29-25-36(32-49(44)58-53)35-24-28-41-43-30-37-14-7-8-17-40(37)50(52(43)57-48(41)31-35)33-22-26-39(27-23-33)55(38-15-5-2-6-16-38)45-19-11-21-47-51(45)42-18-9-10-20-46(42)56-47/h1-32H
InChIKeyQFRAMUQMLYYOBI-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-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-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-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine
CID 171755319
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-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
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
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-[3-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176877839
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
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167123039
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167123196
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of 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) is N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine is c1ccc(-c2nc3ccc(-c4ccc5c(c4)oc4c(-c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6)c6ccccc6cc45)cc3o2)cc1.
What is the InChIKey of N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is QFRAMUQMLYYOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-44-29-25-36(32-49(44)58-53)35-24-28-41-43-30-37-14-7-8-17-40(37)50(52(43)57-48(41)31-35)33-22-26-39(27-23-33)55(38-15-5-2-6-16-38)45-19-11-21-47-51(45)42-18-9-10-20-46(42)56-47/h1-32H.
What are the key properties of N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine?
N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-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-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 171755457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).