N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine

C53H32N2O3 — CID 171755319

IUPACN-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2nc3ccc(-c4c5ccccc5cc5c4oc4ccc(-c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6)cc45)cc3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-44-28-24-37(32-49(44)58-53)50-40-17-8-7-14-36(40)31-43-42-30-35(25-29-47(42)57-52(43)50)33-22-26-39(27-23-33)55(38-15-5-2-6-16-38)45-19-11-21-48-51(45)41-18-9-10-20-46(41)56-48/h1-32H
InChIKeyQANANESIYMBYKQ-UHFFFAOYSA-N
MW744.85 g/mol
LogP15.25
Rot. Bonds6

About N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine

N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine (PubChem CID 171755319) has the molecular formula C53H32N2O3 and a molecular weight of 744.85 g/mol. Its IUPAC name is N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine
PubChem CID171755319
Molecular FormulaC53H32N2O3
Molecular Weight744.85 g/mol
Exact Mass744.24
IUPAC NameN-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2nc3ccc(-c4c5ccccc5cc5c4oc4ccc(-c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6)cc45)cc3o2)cc1
InChIInChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-44-28-24-37(32-49(44)58-53)50-40-17-8-7-14-36(40)31-43-42-30-35(25-29-47(42)57-52(43)50)33-22-26-39(27-23-33)55(38-15-5-2-6-16-38)45-19-11-21-48-51(45)41-18-9-10-20-46(41)56-48/h1-32H
InChIKeyQANANESIYMBYKQ-UHFFFAOYSA-N
XLogP15.25
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.85
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[4-[3-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]dibenzofuran-1-amine
CID 171755457
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167123039
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-6-amine
CID 177119663
N-[3-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176877839
N,4-diphenyl-N-[4-[9-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,1-b][1]benzofuran-6-yl]phenyl]aniline
CID 171754733
N-phenyl-N-[4-[2-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[3,2-b][1]benzofuran-11-yl]phenyl]dibenzofuran-3-amine
CID 171755442
N-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
2-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 175613378
N-naphthalen-1-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169296294
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine (CID 171755319) is N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine is c1ccc(-c2nc3ccc(-c4c5ccccc5cc5c4oc4ccc(-c6ccc(N(c7ccccc7)c7cccc8oc9ccccc9c78)cc6)cc45)cc3o2)cc1.
What is the InChIKey of N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is QANANESIYMBYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O3/c1-3-12-34(13-4-1)53-54-44-28-24-37(32-49(44)58-53)50-40-17-8-7-14-36(40)31-43-42-30-35(25-29-47(42)57-52(43)50)33-22-26-39(27-23-33)55(38-15-5-2-6-16-38)45-19-11-21-48-51(45)41-18-9-10-20-46(41)56-48/h1-32H.
What are the key properties of N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine?
N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 744.85 g/mol, XLogP of 15.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-2-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 171755319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).