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

C47H30N2O2 — CID 176785892

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2nc3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cccc3o2)cc1
InChIInChI=1S/C47H30N2O2/c1-2-12-34(13-3-1)47-48-46-39(18-9-22-44(46)51-47)33-25-29-36(30-26-33)49(41-19-10-21-43-45(41)40-16-6-7-20-42(40)50-43)35-27-23-32(24-28-35)38-17-8-14-31-11-4-5-15-37(31)38/h1-30H
InChIKeyASUSGBWNHJKGQR-UHFFFAOYSA-N
MW654.77 g/mol
LogP13.35
Rot. Bonds6

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

N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176785892) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
PubChem CID176785892
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2nc3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cccc3o2)cc1
InChIInChI=1S/C47H30N2O2/c1-2-12-34(13-3-1)47-48-46-39(18-9-22-44(46)51-47)33-25-29-36(30-26-33)49(41-19-10-21-43-45(41)40-16-6-7-20-42(40)50-43)35-27-23-32(24-28-35)38-17-8-14-31-11-4-5-15-37(31)38/h1-30H
InChIKeyASUSGBWNHJKGQR-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-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 176785926
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine
CID 176785645
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 139355152
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 176785731
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119483
N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine
CID 166845878
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine (CID 176785892) is N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2nc3c(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc6oc7ccccc7c56)cc4)cccc3o2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is ASUSGBWNHJKGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-2-12-34(13-3-1)47-48-46-39(18-9-22-44(46)51-47)33-25-29-36(30-26-33)49(41-19-10-21-43-45(41)40-16-6-7-20-42(40)50-43)35-27-23-32(24-28-35)38-17-8-14-31-11-4-5-15-37(31)38/h1-30H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-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-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176785892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).