N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine

C47H30N2O2 — CID 167127217

IUPACN-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4ccccc34)c3cccc4c3oc3cc5oc(-c6ccccc6)nc5cc34)cc2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)32-25-27-35(28-26-32)49(42-23-10-9-20-38(42)37-21-11-18-33-15-7-8-19-36(33)37)43-24-12-22-39-40-29-41-45(30-44(40)50-46(39)43)51-47(48-41)34-16-5-2-6-17-34/h1-30H
InChIKeyKFGKGXZHFHIBOG-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

About N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine

N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine (PubChem CID 167127217) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine.

Molecular Properties

Compound NameN-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
PubChem CID167127217
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC NameN-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3cccc4ccccc34)c3cccc4c3oc3cc5oc(-c6ccccc6)nc5cc34)cc2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)32-25-27-35(28-26-32)49(42-23-10-9-20-38(42)37-21-11-18-33-15-7-8-19-36(33)37)43-24-12-22-39-40-29-41-45(30-44(40)50-46(39)43)51-47(48-41)34-16-5-2-6-17-34/h1-30H
InChIKeyKFGKGXZHFHIBOG-UHFFFAOYSA-N
XLogP13.35
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine
CID 167128220
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170776701
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-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-8-amine
CID 167127715
N-dibenzofuran-3-yl-2-[3-[5-[4-[dibenzofuran-4-yl-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)amino]phenyl]naphthalen-2-yl]phenyl]-N-(4-naphthalen-1-ylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167128817
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124926
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127280
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-yl)phenyl]fluoren-2-amine
CID 167129831
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]fluoren-3-amine
CID 170776627
N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-8-yl)phenyl]-N-(2-phenylphenyl)phenanthren-2-amine
CID 167127169
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124873
N-(4-naphthalen-1-ylphenyl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167127303

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine?
The IUPAC name of N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine (CID 167127217) is N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine.
What is the SMILES notation for N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine?
The canonical SMILES for N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine is c1ccc(-c2ccc(N(c3ccccc3-c3cccc4ccccc34)c3cccc4c3oc3cc5oc(-c6ccccc6)nc5cc34)cc2)cc1.
What is the InChIKey of N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine?
The InChIKey is KFGKGXZHFHIBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)32-25-27-35(28-26-32)49(42-23-10-9-20-38(42)37-21-11-18-33-15-7-8-19-36(33)37)43-24-12-22-39-40-29-41-45(30-44(40)50-46(39)43)51-47(48-41)34-16-5-2-6-17-34/h1-30H.
What are the key properties of N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine?
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine has a molecular weight of 654.77 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-8-amine is sourced from PubChem (CID 167127217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).