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

C41H28N2O — CID 176785495

IUPAC3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
SMILESc1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7ccccc7c6)c5)cc4)cccc3o2)cc1
InChIInChI=1S/C41H28N2O/c1-3-12-31(13-4-1)41-42-40-38(19-10-20-39(40)44-41)30-23-25-36(26-24-30)43(35-16-5-2-6-17-35)37-18-9-15-33(28-37)34-22-21-29-11-7-8-14-32(29)27-34/h1-28H
InChIKeyLJKZTYFTCSDVIJ-UHFFFAOYSA-N
MW564.69 g/mol
LogP11.45
Rot. Bonds6

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

3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline (PubChem CID 176785495) has the molecular formula C41H28N2O and a molecular weight of 564.69 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
PubChem CID176785495
Molecular FormulaC41H28N2O
Molecular Weight564.69 g/mol
Exact Mass564.22
IUPAC Name3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
SMILESc1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7ccccc7c6)c5)cc4)cccc3o2)cc1
InChIInChI=1S/C41H28N2O/c1-3-12-31(13-4-1)41-42-40-38(19-10-20-39(40)44-41)30-23-25-36(26-24-30)43(35-16-5-2-6-17-35)37-18-9-15-33(28-37)34-22-21-29-11-7-8-14-32(29)27-34/h1-28H
InChIKeyLJKZTYFTCSDVIJ-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

N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 176785451
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]dibenzofuran-3-amine
CID 176785595
9,9-dimethyl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]fluoren-3-amine
CID 176785921
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphthalen-1-amine
CID 176785731
2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine
CID 171410426
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]aniline
CID 176785756
N-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 170398533
5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 171410602

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline?
The IUPAC name of 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline (CID 176785495) is 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline.
What is the SMILES notation for 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline?
The canonical SMILES for 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline is c1ccc(-c2nc3c(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7ccccc7c6)c5)cc4)cccc3o2)cc1.
What is the InChIKey of 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline?
The InChIKey is LJKZTYFTCSDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N2O/c1-3-12-31(13-4-1)41-42-40-38(19-10-20-39(40)44-41)30-23-25-36(26-24-30)43(35-16-5-2-6-17-35)37-18-9-15-33(28-37)34-22-21-29-11-7-8-14-32(29)27-34/h1-28H.
What are the key properties of 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline?
3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-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 3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline is sourced from PubChem (CID 176785495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).