N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline

C49H32N2O2 — CID 167128103

IUPACN-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7cc8nc(-c9ccccc9)oc8cc7c6c5)cc4)cc3)c2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-11-33(12-5-1)37-15-10-16-38(29-37)34-19-24-41(25-20-34)51(40-17-8-3-9-18-40)42-26-21-35(22-27-42)39-23-28-46-43(30-39)44-31-48-45(32-47(44)52-46)50-49(53-48)36-13-6-2-7-14-36/h1-32H
InChIKeyOZIORAKRBMWPCP-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

About N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline

N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 167128103) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID167128103
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC NameN-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7cc8nc(-c9ccccc9)oc8cc7c6c5)cc4)cc3)c2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-11-33(12-5-1)37-15-10-16-38(29-37)34-19-24-41(25-20-34)51(40-17-8-3-9-18-40)42-26-21-35(22-27-42)39-23-28-46-43(30-39)44-31-48-45(32-47(44)52-46)50-49(53-48)36-13-6-2-7-14-36/h1-32H
InChIKeyOZIORAKRBMWPCP-UHFFFAOYSA-N
XLogP13.86
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline 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-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]naphthalen-2-amine
CID 167128270
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
N-phenyl-N,2-bis(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167129536
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167127103
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167130080
N-naphthalen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128692
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]dibenzothiophen-3-amine
CID 167127731
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128562
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]aniline
CID 170776795
N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167127239
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-2-amine
CID 167127808
N-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 167128103) is N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6oc7cc8nc(-c9ccccc9)oc8cc7c6c5)cc4)cc3)c2)cc1.
What is the InChIKey of N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is OZIORAKRBMWPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-4-11-33(12-5-1)37-15-10-16-38(29-37)34-19-24-41(25-20-34)51(40-17-8-3-9-18-40)42-26-21-35(22-27-42)39-23-28-46-43(30-39)44-31-48-45(32-47(44)52-46)50-49(53-48)36-13-6-2-7-14-36/h1-32H.
What are the key properties of N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 680.81 g/mol, XLogP of 13.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167128103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).