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

C53H34N2O2 — CID 171755420

IUPACN-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4cc(-c6ccc(-c7nc8ccccc8o7)cc6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-3-11-35(12-4-1)36-23-28-43(29-24-36)55(42-14-5-2-6-15-42)44-30-25-38(26-31-44)51-45-16-8-7-13-41(45)33-47-46-32-27-40(34-50(46)56-52(47)51)37-19-21-39(22-20-37)53-54-48-17-9-10-18-49(48)57-53/h1-34H
InChIKeyBTURMVZSZHMCAS-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds7

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

N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline (PubChem CID 171755420) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
PubChem CID171755420
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC NameN-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4cc(-c6ccc(-c7nc8ccccc8o7)cc6)ccc45)cc3)cc2)cc1
InChIInChI=1S/C53H34N2O2/c1-3-11-35(12-4-1)36-23-28-43(29-24-36)55(42-14-5-2-6-15-42)44-30-25-38(26-31-44)51-45-16-8-7-13-41(45)33-47-46-32-27-40(34-50(46)56-52(47)51)37-19-21-39(22-20-37)53-54-48-17-9-10-18-49(48)57-53/h1-34H
InChIKeyBTURMVZSZHMCAS-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-(6-phenylnaphtho[2,3-b][1]benzofuran-3-yl)phenyl]aniline
CID 169295813
N,N-diphenyl-4-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]phenyl]aniline
CID 169295916
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
3-(1,3-benzoxazol-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-6-amine
CID 171754352
N-[4-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 171754798
N-[4-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887
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
6-(2-phenyl-1,3-benzoxazol-7-yl)-N,N-bis(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 171754709
4-[4-[7-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,N-diphenylaniline
CID 171755146
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-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 171754673
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline (CID 171755420) is N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5cc5c4oc4cc(-c6ccc(-c7nc8ccccc8o7)cc6)ccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is BTURMVZSZHMCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-3-11-35(12-4-1)36-23-28-43(29-24-36)55(42-14-5-2-6-15-42)44-30-25-38(26-31-44)51-45-16-8-7-13-41(45)33-47-46-32-27-40(34-50(46)56-52(47)51)37-19-21-39(22-20-37)53-54-48-17-9-10-18-49(48)57-53/h1-34H.
What are the key properties of N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline?
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline 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-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 171755420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).