N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline

C53H34N2O2 — CID 171755293

IUPACN,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4cccc(-c6cccc7nc(-c8ccccc8)oc67)c45)cc3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)36-26-30-41(31-27-36)55(40-19-8-3-9-20-40)42-32-28-37(29-33-42)49-43-21-11-10-18-39(43)34-46-50-44(22-13-25-48(50)56-52(46)49)45-23-12-24-47-51(45)57-53(54-47)38-16-6-2-7-17-38/h1-34H
InChIKeyCXULXUNFEWFTAZ-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

About N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline

N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline (PubChem CID 171755293) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline
PubChem CID171755293
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC NameN,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4cccc(-c6cccc7nc(-c8ccccc8)oc67)c45)cc3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)36-26-30-41(31-27-36)55(40-19-8-3-9-20-40)42-32-28-37(29-33-42)49-43-21-11-10-18-39(43)34-46-50-44(22-13-25-48(50)56-52(46)49)45-23-12-24-47-51(45)57-53(54-47)38-16-6-2-7-17-38/h1-34H
InChIKeyCXULXUNFEWFTAZ-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

1-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754408
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
CID 169296331
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]phenyl]aniline
CID 169295391
6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 171754709
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-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine
CID 171754479
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167129252
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167128306
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
2-phenyl-4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170213085
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 167128971

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline (CID 171755293) is N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4cccc(-c6cccc7nc(-c8ccccc8)oc67)c45)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline?
The InChIKey is CXULXUNFEWFTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-4-14-35(15-5-1)36-26-30-41(31-27-36)55(40-19-8-3-9-20-40)42-32-28-37(29-33-42)49-43-21-11-10-18-39(43)34-46-50-44(22-13-25-48(50)56-52(46)49)45-23-12-24-47-51(45)57-53(54-47)38-16-6-2-7-17-38/h1-34H.
What are the key properties of N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline?
N,4-diphenyl-N-[4-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-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-[1-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[2,3-b][1]benzofuran-6-yl]phenyl]aniline is sourced from PubChem (CID 171755293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).