N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline

C49H32N2O2 — CID 167127239

IUPACN-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7cc8oc(-c9ccccc9)nc8cc7c56)cc4)cc3)c2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)37-16-10-17-38(30-37)34-22-26-40(27-23-34)51(39-18-8-3-9-19-39)41-28-24-35(25-29-41)42-20-11-21-45-48(42)43-31-44-47(32-46(43)52-45)53-49(50-44)36-14-6-2-7-15-36/h1-32H
InChIKeyAHBCBHGGYKIFPM-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

About N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline

N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 167127239) 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[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID167127239
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC NameN-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7cc8oc(-c9ccccc9)nc8cc7c56)cc4)cc3)c2)cc1
InChIInChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)37-16-10-17-38(30-37)34-22-26-40(27-23-34)51(39-18-8-3-9-19-39)41-28-24-35(25-29-41)42-20-11-21-45-48(42)43-31-44-47(32-46(43)52-45)53-49(50-44)36-14-6-2-7-15-36/h1-32H
InChIKeyAHBCBHGGYKIFPM-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

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Related Compounds

3-dibenzofuran-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776807
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazole
CID 167128188
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167128243
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-5-yl)phenyl]dibenzofuran-2-amine
CID 167127808
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167128103
N-(4-naphthalen-1-ylphenyl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167127303
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 167127227
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167127101
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127200
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline (CID 167127239) is N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc6oc7cc8oc(-c9ccccc9)nc8cc7c56)cc4)cc3)c2)cc1.
What is the InChIKey of N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is AHBCBHGGYKIFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-4-12-33(13-5-1)37-16-10-17-38(30-37)34-22-26-40(27-23-34)51(39-18-8-3-9-19-39)41-28-24-35(25-29-41)42-20-11-21-45-48(42)43-31-44-47(32-46(43)52-45)53-49(50-44)36-14-6-2-7-15-36/h1-32H.
What are the key properties of N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline?
N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-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[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167127239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).