N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine

C92H56F24N8 — CID 139147183

IUPACN,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1
InChIInChI=1S/4C23H14F6N2/c4*24-22(25,26)19-14-21(23(27,28)29)30-20-13-17(11-12-18(19)20)31(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h4*1-14H
InChIKeyOBYHSLBTOBTZSX-UHFFFAOYSA-N
MW1729.47 g/mol
LogP30.97
Rot. Bonds12

About N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine

N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine (PubChem CID 139147183) has the molecular formula C92H56F24N8 and a molecular weight of 1729.47 g/mol. Its IUPAC name is N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine.

Molecular Properties

Compound NameN,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine
PubChem CID139147183
Molecular FormulaC92H56F24N8
Molecular Weight1729.47 g/mol
Exact Mass1728.42
IUPAC NameN,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1
InChIInChI=1S/4C23H14F6N2/c4*24-22(25,26)19-14-21(23(27,28)29)30-20-13-17(11-12-18(19)20)31(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h4*1-14H
InChIKeyOBYHSLBTOBTZSX-UHFFFAOYSA-N
XLogP30.97
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001729.47
LogP ≤ 530.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Acriflavine
CID 443101
N1,N4-Di-9-acridinyl-1,4-piperazinedipropanamine
CID 435901
6-fluoro-N-{7-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 9828345
6-fluoro-N-{8-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 9850331
6-fluoro-N-{6-[(6-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1,2,3,4-tetrahydroacridin-9-amine
CID 23644776
N-[2-[4-[2-(acridin-9-ylamino)ethyl]piperazin-1-yl]ethyl]acridin-9-amine
CID 13500700
1,4-bis[3-(1,2,3,4-Tetrahydroacridin-9-yl)aminopropyl]piperazine
CID 24879381
2,6-bis{[(1,2,3,4-Tetrahydroacridin-9-yl)amino]ethyl}pyridine
CID 24879383
10-[10-(9-Amino-1,2,3,4-tetrahydroacridin-10-ium-10-yl)decyl]-1,2,3,4-tetrahydroacridin-10-ium-9-amine
CID 44345209
9-N-[4-(piperidin-1-ylmethyl)phenyl]acridine-3,6,9-triamine
CID 10046371
N-[[10-[[3-(dimethylamino)propylamino]methyl]quinolino[2,3-a]acridin-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 10458944
3,8-Diamino-6-phenyl-5-(3-{3-[3-(1,2,3,4-tetrahydro-acridin-9-ylamino)-propylamino]-propylamino}-propyl)-phenanthridinium
CID 11169647

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine?
The IUPAC name of N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine (CID 139147183) is N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine.
What is the SMILES notation for N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine?
The canonical SMILES for N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine is FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.FC(F)(F)c1cc(C(F)(F)F)c2ccc(N(c3ccccc3)c3ccccc3)cc2n1.
What is the InChIKey of N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine?
The InChIKey is OBYHSLBTOBTZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H14F6N2/c4*24-22(25,26)19-14-21(23(27,28)29)30-20-13-17(11-12-18(19)20)31(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h4*1-14H.
What are the key properties of N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine?
N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine has a molecular weight of 1729.47 g/mol, XLogP of 30.97, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-2,4-bis(trifluoromethyl)quinolin-7-amine is sourced from PubChem (CID 139147183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).