5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine

C53H35N3O2 — CID 170247788

IUPAC5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
SMILESc1ccc(-c2ccc(N(c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4oc(-c5ccccc5)nc4c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C53H35N3O2/c1-4-15-36(16-5-1)38-27-30-42(31-28-38)56(48-25-14-24-46-45-23-12-13-26-50(45)57-51(46)48)44-34-47-52(58-53(54-47)39-18-6-2-7-19-39)49(35-44)55(41-21-8-3-9-22-41)43-32-29-37-17-10-11-20-40(37)33-43/h1-35H
InChIKeyBYRYBSBRMYBENH-UHFFFAOYSA-N
MW745.88 g/mol
LogP15.15
Rot. Bonds8

About 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine

5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine (PubChem CID 170247788) has the molecular formula C53H35N3O2 and a molecular weight of 745.88 g/mol. Its IUPAC name is 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine.

Molecular Properties

Compound Name5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
PubChem CID170247788
Molecular FormulaC53H35N3O2
Molecular Weight745.88 g/mol
Exact Mass745.27
IUPAC Name5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
SMILESc1ccc(-c2ccc(N(c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4oc(-c5ccccc5)nc4c3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C53H35N3O2/c1-4-15-36(16-5-1)38-27-30-42(31-28-38)56(48-25-14-24-46-45-23-12-13-26-50(45)57-51(46)48)44-34-47-52(58-53(54-47)39-18-6-2-7-19-39)49(35-44)55(41-21-8-3-9-22-41)43-32-29-37-17-10-11-20-40(37)33-43/h1-35H
InChIKeyBYRYBSBRMYBENH-UHFFFAOYSA-N
XLogP15.15
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.88
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-dibenzofuran-4-yl-5-N,7-N,7-N,2-tetraphenyl-1,3-benzoxazole-5,7-diamine
CID 170247817
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
5-N,5-N,7-N,2-tetraphenyl-7-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine
CID 170247879
N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112985
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167128306
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128971
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
N-(3-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 167324321
7-N-naphthalen-2-yl-7-N,9-N,9-N,2-tetraphenylbenzo[g][1,3]benzoxazole-7,9-diamine
CID 170247961

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine?
The IUPAC name of 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) is 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine.
What is the SMILES notation for 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine?
The canonical SMILES for 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine is c1ccc(-c2ccc(N(c3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4oc(-c5ccccc5)nc4c3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine?
The InChIKey is BYRYBSBRMYBENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O2/c1-4-15-36(16-5-1)38-27-30-42(31-28-38)56(48-25-14-24-46-45-23-12-13-26-50(45)57-51(46)48)44-34-47-52(58-53(54-47)39-18-6-2-7-19-39)49(35-44)55(41-21-8-3-9-22-41)43-32-29-37-17-10-11-20-40(37)33-43/h1-35H.
What are the key properties of 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine?
5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine has a molecular weight of 745.88 g/mol, XLogP of 15.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-dibenzofuran-4-yl-7-N-naphthalen-2-yl-7-N,2-diphenyl-5-N-(4-phenylphenyl)-1,3-benzoxazole-5,7-diamine is sourced from PubChem (CID 170247788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).