N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

C49H32N2O2 — CID 167123759

IUPACN-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4c(c3)oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-5-13-33(14-6-1)34-21-23-38(24-22-34)51(39-25-27-41(35-15-7-2-8-16-35)43(31-39)36-17-9-3-10-18-36)40-26-28-42-46(32-40)52-44-29-30-45-48(47(42)44)50-49(53-45)37-19-11-4-12-20-37/h1-32H
InChIKeyDAXRSUQEGRSHRY-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.86
Rot. Bonds7

About N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine

N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (PubChem CID 167123759) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
PubChem CID167123759
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC NameN-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4c(c3)oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1
InChIInChI=1S/C49H32N2O2/c1-5-13-33(14-6-1)34-21-23-38(24-22-34)51(39-25-27-41(35-15-7-2-8-16-35)43(31-39)36-17-9-3-10-18-36)40-26-28-42-46(32-40)52-44-29-30-45-48(47(42)44)50-49(53-45)37-19-11-4-12-20-37/h1-32H
InChIKeyDAXRSUQEGRSHRY-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-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123180
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167128856
N,2,7-triphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112601
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123462
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167124652
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
N-(3,4-diphenylphenyl)-2-[4-(N-(3,4-diphenylphenyl)anilino)phenyl]-N-phenyl-1,3-benzoxazol-6-amine
CID 158680796
N-dibenzofuran-3-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123178

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine (CID 167123759) is N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)c(-c4ccccc4)c3)c3ccc4c(c3)oc3ccc5oc(-c6ccccc6)nc5c34)cc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
The InChIKey is DAXRSUQEGRSHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-5-13-33(14-6-1)34-21-23-38(24-22-34)51(39-25-27-41(35-15-7-2-8-16-35)43(31-39)36-17-9-3-10-18-36)40-26-28-42-46(32-40)52-44-29-30-45-48(47(42)44)50-49(53-45)37-19-11-4-12-20-37/h1-32H.
What are the key properties of N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine?
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine 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-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167123759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).