N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline

C57H36N2O2 — CID 171754984

IUPACN-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4cc6ccccc6c(-c6ccc(-c7nc8ccccc8o7)c7ccccc67)c45)cc3)cc2)cc1
InChIInChI=1S/C57H36N2O2/c1-3-14-37(15-4-1)38-26-30-42(31-27-38)59(41-17-5-2-6-18-41)43-32-28-39(29-33-43)45-22-13-23-50-55-53(60-56(45)50)36-40-16-7-8-19-44(40)54(55)48-34-35-49(47-21-10-9-20-46(47)48)57-58-51-24-11-12-25-52(51)61-57/h1-36H
InChIKeyJTNYRJYKJNISEM-UHFFFAOYSA-N
MW780.93 g/mol
LogP16.17
Rot. Bonds7

About N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline

N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline (PubChem CID 171754984) has the molecular formula C57H36N2O2 and a molecular weight of 780.93 g/mol. Its IUPAC name is N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline
PubChem CID171754984
Molecular FormulaC57H36N2O2
Molecular Weight780.93 g/mol
Exact Mass780.28
IUPAC NameN-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4cc6ccccc6c(-c6ccc(-c7nc8ccccc8o7)c7ccccc67)c45)cc3)cc2)cc1
InChIInChI=1S/C57H36N2O2/c1-3-14-37(15-4-1)38-26-30-42(31-27-38)59(41-17-5-2-6-18-41)43-32-28-39(29-33-43)45-22-13-23-50-55-53(60-56(45)50)36-40-16-7-8-19-44(40)54(55)48-34-35-49(47-21-10-9-20-46(47)48)57-58-51-24-11-12-25-52(51)61-57/h1-36H
InChIKeyJTNYRJYKJNISEM-UHFFFAOYSA-N
XLogP16.17
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-[4-[11-(2-phenyl-1,3-benzoxazol-6-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]dibenzofuran-3-amine
CID 171755327
3-naphthalen-1-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176785675
4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline
CID 176785431
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
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167122967
N-[4-[3-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[2,3-b][1]benzofuran-6-yl]phenyl]-N,4-diphenylaniline
CID 171755420
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-4-amine
CID 177082253
9-(1,3-benzoxazol-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 177082451
11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5-amine
CID 171754421
N,4-diphenyl-N-[4-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)phenyl]aniline
CID 169296331
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 134337496
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
CID 134337497

Frequently Asked Questions

What is the IUPAC name of N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline (CID 171754984) is N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5c4oc4cc6ccccc6c(-c6ccc(-c7nc8ccccc8o7)c7ccccc67)c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is JTNYRJYKJNISEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N2O2/c1-3-14-37(15-4-1)38-26-30-42(31-27-38)59(41-17-5-2-6-18-41)43-32-28-39(29-33-43)45-22-13-23-50-55-53(60-56(45)50)36-40-16-7-8-19-44(40)54(55)48-34-35-49(47-21-10-9-20-46(47)48)57-58-51-24-11-12-25-52(51)61-57/h1-36H.
What are the key properties of N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline?
N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 780.93 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[11-[4-(1,3-benzoxazol-2-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 171754984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).