N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine

C47H30N2O2 — CID 167122952

IUPACN-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3cc4nc(-c5ccccc5)oc4c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)33-25-27-37(28-26-33)49(41-21-11-9-19-38(41)36-24-23-32-15-7-8-18-35(32)29-36)42-30-40-45(51-47(48-40)34-16-5-2-6-17-34)44-39-20-10-12-22-43(39)50-46(42)44/h1-30H
InChIKeyFHVYSQXHFYTWHC-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

About N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine

N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine (PubChem CID 167122952) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine.

Molecular Properties

Compound NameN-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
PubChem CID167122952
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC NameN-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3cc4nc(-c5ccccc5)oc4c4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)33-25-27-37(28-26-33)49(41-21-11-9-19-38(41)36-24-23-32-15-7-8-18-35(32)29-36)42-30-40-45(51-47(48-40)34-16-5-2-6-17-34)44-39-20-10-12-22-43(39)50-46(42)44/h1-30H
InChIKeyFHVYSQXHFYTWHC-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

Analyze N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine with MolForge

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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
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124784
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167124758
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167123039
4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069663
2-dibenzofuran-1-yl-N-[2-(2-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167325982
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566139
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124873
N-phenanthren-9-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine
CID 167123789
5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
CID 170247788
4-naphthalen-2-yl-N-[2-(3-phenylphenyl)phenyl]-N-(4-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069453

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine?
The IUPAC name of N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine (CID 167122952) is N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine.
What is the SMILES notation for N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine?
The canonical SMILES for N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccc4ccccc4c3)c3cc4nc(-c5ccccc5)oc4c4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine?
The InChIKey is FHVYSQXHFYTWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-3-13-31(14-4-1)33-25-27-37(28-26-33)49(41-21-11-9-19-38(41)36-24-23-32-15-7-8-18-35(32)29-36)42-30-40-45(51-47(48-40)34-16-5-2-6-17-34)44-39-20-10-12-22-43(39)50-46(42)44/h1-30H.
What are the key properties of N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine?
N-(2-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-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-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-5-amine is sourced from PubChem (CID 167122952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).