2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile

C91H99F16N9O4 — CID 165107786

IUPAC2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile
SMILESCC(C)c1ccc(C#N)c(OC(F)(F)F)c1.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(OC(F)(F)F)c(C#N)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cnc(C#N)nc1.CC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C18H17N3.C13H17F3.2C11H10F3NO.C10H12F3N.C10H11F3O.C10H13FO.C8H9N3/c1-13(2)16-19-17(14-9-5-3-6-10-14)21-18(20-16)15-11-7-4-8-12-15;1-8(2)11-6-5-10(13(14,15)16)7-12(11)9(3)4;1-7(2)8-3-4-10(9(5-8)6-15)16-11(12,13)14;1-7(2)8-3-4-9(6-15)10(5-8)16-11(12,13)14;1-6(2)8-4-7(3)14-9(5-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-6(2)7-4-10-8(3-9)11-5-7/h3-13H,1-2H3;5-9H,1-4H3;2*3-5,7H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-2H3
InChIKeyZKZCBFVLTVHLQI-UHFFFAOYSA-N
MW1686.82 g/mol
LogP28.11
Rot. Bonds15

About 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile

2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile (PubChem CID 165107786) has the molecular formula C91H99F16N9O4 and a molecular weight of 1686.82 g/mol. Its IUPAC name is 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile.

Molecular Properties

Compound Name2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile
PubChem CID165107786
Molecular FormulaC91H99F16N9O4
Molecular Weight1686.82 g/mol
Exact Mass1685.76
IUPAC Name2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile
SMILESCC(C)c1ccc(C#N)c(OC(F)(F)F)c1.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(OC(F)(F)F)c(C#N)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cnc(C#N)nc1.CC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C18H17N3.C13H17F3.2C11H10F3NO.C10H12F3N.C10H11F3O.C10H13FO.C8H9N3/c1-13(2)16-19-17(14-9-5-3-6-10-14)21-18(20-16)15-11-7-4-8-12-15;1-8(2)11-6-5-10(13(14,15)16)7-12(11)9(3)4;1-7(2)8-3-4-10(9(5-8)6-15)16-11(12,13)14;1-7(2)8-3-4-9(6-15)10(5-8)16-11(12,13)14;1-6(2)8-4-7(3)14-9(5-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-6(2)7-4-10-8(3-9)11-5-7/h3-13H,1-2H3;5-9H,1-4H3;2*3-5,7H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-2H3
InChIKeyZKZCBFVLTVHLQI-UHFFFAOYSA-N
XLogP28.11
TPSA185.63 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.82
LogP ≤ 528.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile with MolForge

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Related Compounds

US9776995, Example 374
CID 117739926
5-(3-{4-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-6-trifluoromethyl-pyrimidin-2-yl}-phenyl)-pyrimidin-2-ylamine
CID 60209409
4-[1-(2,6-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 26355114
4-[1-(2,5-Dimethoxybenzyl)-3-piperidinyl]-5-(2-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 45166129
4-[1-(2,3-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 42421170
4-[1-(4-Fluoro-3-methoxybenzyl)-4-piperidinyl]-5-(3-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 42424046
4-[1-(4-Fluoro-3-methoxybenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 42501824
4-[1-(2-Fluoro-5-methoxybenzyl)-3-piperidinyl]-5-(2-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 45205672
2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-5-[6-[(E)-pent-3-enyl]-3-pyridinyl]pyrimidine
CID 20621771
4-[1-(3,4-Difluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 26359516
4-[1-(3-Fluorobenzyl)-4-piperidinyl]-5-(3-methoxyphenyl)-2-(4-pyridinyl)pyrimidine
CID 42346963
4-Fluoro-1-(3-fluoro-4-methoxy-5-methylphenyl)-1-(2-(pyrimidin-5-yl)pyridin-4-yl)-1H-isoindol-3-amine
CID 46202084

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile?
The IUPAC name of 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile (CID 165107786) is 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile.
What is the SMILES notation for 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile?
The canonical SMILES for 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile is CC(C)c1ccc(C#N)c(OC(F)(F)F)c1.CC(C)c1ccc(C(F)(F)F)cc1C(C)C.CC(C)c1ccc(OC(F)(F)F)c(C#N)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cnc(C#N)nc1.CC(C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.COc1ccc(C(C)C)cc1F.Cc1cc(C(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile?
The InChIKey is ZKZCBFVLTVHLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.C13H17F3.2C11H10F3NO.C10H12F3N.C10H11F3O.C10H13FO.C8H9N3/c1-13(2)16-19-17(14-9-5-3-6-10-14)21-18(20-16)15-11-7-4-8-12-15;1-8(2)11-6-5-10(13(14,15)16)7-12(11)9(3)4;1-7(2)8-3-4-10(9(5-8)6-15)16-11(12,13)14;1-7(2)8-3-4-9(6-15)10(5-8)16-11(12,13)14;1-6(2)8-4-7(3)14-9(5-8)10(11,12)13;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-5-10(12-3)9(11)6-8;1-6(2)7-4-10-8(3-9)11-5-7/h3-13H,1-2H3;5-9H,1-4H3;2*3-5,7H,1-2H3;4-6H,1-3H3;3-7H,1-2H3;4-7H,1-3H3;4-6H,1-2H3.
What are the key properties of 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile?
2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile has a molecular weight of 1686.82 g/mol, XLogP of 28.11, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-propan-2-yl-1,3,5-triazine;1,2-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;5-propan-2-ylpyrimidine-2-carbonitrile;1-propan-2-yl-3-(trifluoromethoxy)benzene;4-propan-2-yl-2-(trifluoromethoxy)benzonitrile;5-propan-2-yl-2-(trifluoromethoxy)benzonitrile is sourced from PubChem (CID 165107786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).