N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine

C47H28F3N3O2 — CID 164939135

IUPACN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine
SMILESFC(F)(F)c1cc2ccccc2cc1-c1ccc2cc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)ccc2c1
InChIInChI=1S/C47H28F3N3O2/c48-47(49,50)40-28-32-8-2-1-7-31(32)27-39(40)35-14-13-34-26-38(24-19-33(34)25-35)53(36-20-15-29(16-21-36)45-51-41-9-3-5-11-43(41)54-45)37-22-17-30(18-23-37)46-52-42-10-4-6-12-44(42)55-46/h1-28H
InChIKeyFOQYWXFPBXEEHX-UHFFFAOYSA-N
MW723.75 g/mol
LogP13.77
Rot. Bonds6

About N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine

N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine (PubChem CID 164939135) has the molecular formula C47H28F3N3O2 and a molecular weight of 723.75 g/mol. Its IUPAC name is N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine
PubChem CID164939135
Molecular FormulaC47H28F3N3O2
Molecular Weight723.75 g/mol
Exact Mass723.21
IUPAC NameN,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine
SMILESFC(F)(F)c1cc2ccccc2cc1-c1ccc2cc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)ccc2c1
InChIInChI=1S/C47H28F3N3O2/c48-47(49,50)40-28-32-8-2-1-7-31(32)27-39(40)35-14-13-34-26-38(24-19-33(34)25-35)53(36-20-15-29(16-21-36)45-51-41-9-3-5-11-43(41)54-45)37-22-17-30(18-23-37)46-52-42-10-4-6-12-44(42)55-46/h1-28H
InChIKeyFOQYWXFPBXEEHX-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

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Related Compounds

Fluorescent brightener 367
CID 78769
4,4'-Bis(2-benzoxazolyl)stilbene
CID 73744
N-(p-(2-Benzoxazolyl)phenyl)maleimide
CID 85555
Benzoxazole, 2-(4-(2-(4-(2-benzoxazolyl)phenyl)ethenyl)phenyl)-5-methyl-
CID 5761588
4,4'-Bis(5-methyl-2-benzoxazolyl)stilbene
CID 6436901
6-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]hexanoic acid
CID 70685935
2-[Methyl-[3-[2-[4-phenyl-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propyl]amino]acetic acid
CID 70692256
2-[4-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]piperidin-1-yl]acetic acid
CID 70692257
1-[3-[2-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]propyl]piperidine-3-carboxylic acid
CID 70696411
N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzamide
CID 1101438
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-[2-(2-methyl-benzooxazol-6-yl)-ethyl]-amine
CID 10499020
2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole
CID 111052

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine?
The IUPAC name of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine (CID 164939135) is N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine.
What is the SMILES notation for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine?
The canonical SMILES for N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine is FC(F)(F)c1cc2ccccc2cc1-c1ccc2cc(N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccc(-c4nc5ccccc5o4)cc3)ccc2c1.
What is the InChIKey of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine?
The InChIKey is FOQYWXFPBXEEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28F3N3O2/c48-47(49,50)40-28-32-8-2-1-7-31(32)27-39(40)35-14-13-34-26-38(24-19-33(34)25-35)53(36-20-15-29(16-21-36)45-51-41-9-3-5-11-43(41)54-45)37-22-17-30(18-23-37)46-52-42-10-4-6-12-44(42)55-46/h1-28H.
What are the key properties of N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine?
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-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 N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-6-[3-(trifluoromethyl)naphthalen-2-yl]naphthalen-2-amine is sourced from PubChem (CID 164939135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).