2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine

C47H28F3N3O2 — CID 164939133

IUPAC2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine
SMILESFC(F)(F)c1ccc2cc(-c3ccc4cc(N(c5ccc6nc(-c7ccccc7)oc6c5)c5ccc6nc(-c7ccccc7)oc6c5)ccc4c3)ccc2c1
InChIInChI=1S/C47H28F3N3O2/c48-47(49,50)37-17-15-33-23-31(11-13-35(33)25-37)32-12-14-36-26-38(18-16-34(36)24-32)53(39-19-21-41-43(27-39)54-45(51-41)29-7-3-1-4-8-29)40-20-22-42-44(28-40)55-46(52-42)30-9-5-2-6-10-30/h1-28H
InChIKeyLYJNHALNQWWRGT-UHFFFAOYSA-N
MW723.75 g/mol
LogP13.77
Rot. Bonds6

About 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine

2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine (PubChem CID 164939133) has the molecular formula C47H28F3N3O2 and a molecular weight of 723.75 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine
PubChem CID164939133
Molecular FormulaC47H28F3N3O2
Molecular Weight723.75 g/mol
Exact Mass723.21
IUPAC Name2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine
SMILESFC(F)(F)c1ccc2cc(-c3ccc4cc(N(c5ccc6nc(-c7ccccc7)oc6c5)c5ccc6nc(-c7ccccc7)oc6c5)ccc4c3)ccc2c1
InChIInChI=1S/C47H28F3N3O2/c48-47(49,50)37-17-15-33-23-31(11-13-35(33)25-37)32-12-14-36-26-38(18-16-34(36)24-32)53(39-19-21-41-43(27-39)54-45(51-41)29-7-3-1-4-8-29)40-20-22-42-44(28-40)55-46(52-42)30-9-5-2-6-10-30/h1-28H
InChIKeyLYJNHALNQWWRGT-UHFFFAOYSA-N
XLogP13.77
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.75
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine with MolForge

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Related Compounds

Fluorescent brightener 367
CID 78769
N-(2-methyl-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzamide
CID 1472994
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]-4-methylbenzamide
CID 44581224
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]-3-methylbenzamide
CID 44581225
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-6-yl]-2-methylbenzamide
CID 44581250
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(trifluoromethyl)benzamide
CID 2824074
2-(4-methoxyphenyl)-N-methyl-N-phenylbenzo[e][1,3]benzoxazol-5-amine
CID 145949475
N,2-diphenylbenzo[e][1,3]benzoxazol-5-amine
CID 145959652
N-(4-methoxyphenyl)-N-methyl-2-phenylbenzo[e][1,3]benzoxazol-5-amine
CID 145959692
N-methyl-N,2-diphenylbenzo[e][1,3]benzoxazol-5-amine
CID 145971935
2-(1,1-Difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole
CID 141354377
N1,N4-bis[4-(1,3-benzoxazol-2-yl)phenyl]terephthalamide
CID 486278

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine (CID 164939133) is 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine is FC(F)(F)c1ccc2cc(-c3ccc4cc(N(c5ccc6nc(-c7ccccc7)oc6c5)c5ccc6nc(-c7ccccc7)oc6c5)ccc4c3)ccc2c1.
What is the InChIKey of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine?
The InChIKey is LYJNHALNQWWRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28F3N3O2/c48-47(49,50)37-17-15-33-23-31(11-13-35(33)25-37)32-12-14-36-26-38(18-16-34(36)24-32)53(39-19-21-41-43(27-39)54-45(51-41)29-7-3-1-4-8-29)40-20-22-42-44(28-40)55-46(52-42)30-9-5-2-6-10-30/h1-28H.
What are the key properties of 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine?
2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine has a molecular weight of 723.75 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[6-[6-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-yl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 164939133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).