N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline

C53H34N2O2 — CID 176785926

IUPACN-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4oc(-c5ccc6c(c5)oc5ccccc56)nc34)cc2)c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C53H34N2O2/c1-2-13-36(14-3-1)44-20-6-8-24-48(44)55(41-18-10-17-38(33-41)43-22-11-16-35-15-4-5-19-42(35)43)40-30-27-37(28-31-40)45-23-12-26-50-52(45)54-53(57-50)39-29-32-47-46-21-7-9-25-49(46)56-51(47)34-39/h1-34H
InChIKeyCGOKQOHYZAHYQF-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

About N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline

N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline (PubChem CID 176785926) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
PubChem CID176785926
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC NameN-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4oc(-c5ccc6c(c5)oc5ccccc56)nc34)cc2)c2cccc(-c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C53H34N2O2/c1-2-13-36(14-3-1)44-20-6-8-24-48(44)55(41-18-10-17-38(33-41)43-22-11-16-35-15-4-5-19-42(35)43)40-30-27-37(28-31-40)45-23-12-26-50-52(45)54-53(57-50)39-29-32-47-46-21-7-9-25-49(46)56-51(47)34-39/h1-34H
InChIKeyCGOKQOHYZAHYQF-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-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
2-dibenzofuran-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324805
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 176785731
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785892
2-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167324734
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324538
2-dibenzofuran-3-yl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326205
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 176785451
N-(3-dibenzofuran-3-ylphenyl)-5-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235123
N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 167086371

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline?
The IUPAC name of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline (CID 176785926) is N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4oc(-c5ccc6c(c5)oc5ccccc56)nc34)cc2)c2cccc(-c3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline?
The InChIKey is CGOKQOHYZAHYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-2-13-36(14-3-1)44-20-6-8-24-48(44)55(41-18-10-17-38(33-41)43-22-11-16-35-15-4-5-19-42(35)43)40-30-27-37(28-31-40)45-23-12-26-50-52(45)54-53(57-50)39-29-32-47-46-21-7-9-25-49(46)56-51(47)34-39/h1-34H.
What are the key properties of N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline?
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline 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 N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 176785926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).