4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline

C41H28N2O — CID 176785756

IUPAC4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
SMILESc1ccc(-c2nc3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c3o2)cc1
InChIInChI=1S/C41H28N2O/c1-3-11-32(12-4-1)41-42-39-17-9-16-38(40(39)44-41)31-22-26-37(27-23-31)43(35-14-5-2-6-15-35)36-24-20-30(21-25-36)34-19-18-29-10-7-8-13-33(29)28-34/h1-28H
InChIKeyZOMFKEQFDIUJJL-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.45
Rot. Bonds6

About 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline

4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline (PubChem CID 176785756) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
PubChem CID176785756
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC Name4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
SMILESc1ccc(-c2nc3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c3o2)cc1
InChIInChI=1S/C41H28N2O/c1-3-11-32(12-4-1)41-42-39-17-9-16-38(40(39)44-41)31-22-26-37(27-23-31)43(35-14-5-2-6-15-35)36-24-20-30(21-25-36)34-19-18-29-10-7-8-13-33(29)28-34/h1-28H
InChIKeyZOMFKEQFDIUJJL-UHFFFAOYSA-N
XLogP11.45
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-2-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-phenylaniline
CID 176785431
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 176785714
N-phenyl-3-(2-phenyl-1,3-benzoxazol-7-yl)-N-(4-phenylphenyl)aniline
CID 176785674
N,4-diphenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-9-yl)phenyl]aniline
CID 155474138
N-[4-(2-naphthalen-2-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-2-amine
CID 176785622
N-(4-naphthalen-2-ylphenyl)-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112892
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631252
3-naphthalen-1-yl-N-[4-(2-naphthalen-1-yl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176785675
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429
N-[3-(2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-8-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 171410352
N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176785597
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 155473984

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline?
The IUPAC name of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline (CID 176785756) is 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline is c1ccc(-c2nc3cccc(-c4ccc(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cc4)c3o2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline?
The InChIKey is ZOMFKEQFDIUJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-3-11-32(12-4-1)41-42-39-17-9-16-38(40(39)44-41)31-22-26-37(27-23-31)43(35-14-5-2-6-15-35)36-24-20-30(21-25-36)34-19-18-29-10-7-8-13-33(29)28-34/h1-28H.
What are the key properties of 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline?
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline has a molecular weight of 564.69 g/mol, XLogP of 11.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline is sourced from PubChem (CID 176785756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).