1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine

C28H17F6N — CID 132519351

IUPAC1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C28H17F6N/c29-27(30,31)19-13-18(14-20(15-19)28(32,33)34)23-11-9-16-5-1-3-7-21(16)25(23)26-22-8-4-2-6-17(22)10-12-24(26)35/h1-15H,35H2
InChIKeyZGXHZQOFTFUHSA-UHFFFAOYSA-N
MW481.44 g/mol
LogP8.95
Rot. Bonds2

About 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine

1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine (PubChem CID 132519351) has the molecular formula C28H17F6N and a molecular weight of 481.44 g/mol. Its IUPAC name is 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound Name1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine
PubChem CID132519351
Molecular FormulaC28H17F6N
Molecular Weight481.44 g/mol
Exact Mass481.13
IUPAC Name1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine
SMILESNc1ccc2ccccc2c1-c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ccccc12
InChIInChI=1S/C28H17F6N/c29-27(30,31)19-13-18(14-20(15-19)28(32,33)34)23-11-9-16-5-1-3-7-21(16)25(23)26-22-8-4-2-6-17(22)10-12-24(26)35/h1-15H,35H2
InChIKeyZGXHZQOFTFUHSA-UHFFFAOYSA-N
XLogP8.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]-N',N'-di(propan-2-yl)methanediamine
CID 177435383
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;hydrochloride
CID 139641730
bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)
CID 101387400
1-[3,5-bis(trifluoromethyl)phenyl]-9-[1-[3,5-bis(trifluoromethyl)phenyl]anthracen-9-yl]anthracene
CID 172555386
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839
4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine
CID 162717087
2-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]-1,3-benzothiazole
CID 171056417
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
1-(2-methylnaphthalen-1-yl)naphthalen-2-amine
CID 18736750
1-(2-aminophenyl)naphthalen-2-amine
CID 11424829
17-[3,5-bis(trifluoromethyl)phenyl]-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,12,16,18,20,22-undecaene bromide
CID 154686576

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine (CID 132519351) is 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine is Nc1ccc2ccccc2c1-c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc2ccccc12.
What is the InChIKey of 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine?
The InChIKey is ZGXHZQOFTFUHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F6N/c29-27(30,31)19-13-18(14-20(15-19)28(32,33)34)23-11-9-16-5-1-3-7-21(16)25(23)26-22-8-4-2-6-17(22)10-12-24(26)35/h1-15H,35H2.
What are the key properties of 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine?
1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine has a molecular weight of 481.44 g/mol, XLogP of 8.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 132519351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).