3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline

C53H34N2O2 — CID 167123274

IUPAC3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6oc(-c7ccccc7)nc6c45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-3-10-35(11-4-1)37-20-25-44(26-21-37)55(46-17-9-16-41(33-46)42-19-18-36-12-7-8-15-40(36)32-42)45-27-22-38(23-28-45)43-24-29-47-50(34-43)56-48-30-31-49-52(51(47)48)54-53(57-49)39-13-5-2-6-14-39/h1-34H
InChIKeyNIWLETIGNGRJGU-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

About 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline

3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 167123274) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID167123274
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC Name3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6oc(-c7ccccc7)nc6c45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-3-10-35(11-4-1)37-20-25-44(26-21-37)55(46-17-9-16-41(33-46)42-19-18-36-12-7-8-15-40(36)32-42)45-27-22-38(23-28-45)43-24-29-47-50(34-43)56-48-30-31-49-52(51(47)48)54-53(57-49)39-13-5-2-6-14-39/h1-34H
InChIKeyNIWLETIGNGRJGU-UHFFFAOYSA-N
XLogP15.02
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123474
3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
CID 176785495
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-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-6-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167127103
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N-(3,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167123759
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 167124665
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

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 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) is 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6oc(-c7ccccc7)nc6c45)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1.
What is the InChIKey of 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is NIWLETIGNGRJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-3-10-35(11-4-1)37-20-25-44(26-21-37)55(46-17-9-16-41(33-46)42-19-18-36-12-7-8-15-40(36)32-42)45-27-22-38(23-28-45)43-24-29-47-50(34-43)56-48-30-31-49-52(51(47)48)54-53(57-49)39-13-5-2-6-14-39/h1-34H.
What are the key properties of 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline?
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 730.87 g/mol, XLogP of 15.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167123274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).