N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline

C53H34N2O2 — CID 171754122

IUPACN,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7cc(-c7cccc8oc(-c9ccccc9)nc78)c6c5c4)cc3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-13-35(14-5-1)36-23-28-42(29-24-36)55(41-18-8-3-9-19-41)43-30-25-37(26-31-43)39-27-32-48-47(33-39)50-46(34-40-17-10-11-20-44(40)52(50)56-48)45-21-12-22-49-51(45)54-53(57-49)38-15-6-2-7-16-38/h1-34H
InChIKeySRISJOZOGOBMFH-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

About N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline

N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline (PubChem CID 171754122) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline
PubChem CID171754122
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC NameN,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7cc(-c7cccc8oc(-c9ccccc9)nc78)c6c5c4)cc3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-13-35(14-5-1)36-23-28-42(29-24-36)55(41-18-8-3-9-19-41)43-30-25-37(26-31-43)39-27-32-48-47(33-39)50-46(34-40-17-10-11-20-44(40)52(50)56-48)45-21-12-22-49-51(45)54-53(57-49)38-15-6-2-7-16-38/h1-34H
InChIKeySRISJOZOGOBMFH-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-diphenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 167125241
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 171754558
N-[4-(2-dibenzofuran-1-yl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167125406
N-(4-naphthalen-2-ylphenyl)-N-phenyl-6-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167339356
N,4-diphenyl-N-[4-(2-phenylbenzo[e][1,3]benzoxazol-8-yl)phenyl]aniline
CID 170026606
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
4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
CID 167125084
6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339368
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124598
N-(3-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[1,2-e][1,3]benzoxazol-9-amine
CID 174319290
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 N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline (CID 171754122) is N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6c7ccccc7cc(-c7cccc8oc(-c9ccccc9)nc78)c6c5c4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline?
The InChIKey is SRISJOZOGOBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-4-13-35(14-5-1)36-23-28-42(29-24-36)55(41-18-8-3-9-19-41)43-30-25-37(26-31-43)39-27-32-48-47(33-39)50-46(34-40-17-10-11-20-44(40)52(50)56-48)45-21-12-22-49-51(45)54-53(57-49)38-15-6-2-7-16-38/h1-34H.
What are the key properties of N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]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 N,4-diphenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-4-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]aniline is sourced from PubChem (CID 171754122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).