1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene

C155H216F6N2O5 — CID 157403229

IUPAC1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene
SMILESCC(C)c1cc(F)c(C(C)C)cc1F.CC(C)c1cc(F)cc(C(C)C)c1.CC(C)c1cc(N)cc(C(C)C)c1.CC(C)c1cc(O)cc(C(C)C)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2oc3ccc(C(C)C)cc3c2c1.CC(C)c1cncc(C(C)C)c1.COc1cc(C(C)C)c(OC)cc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)cc1C(C)C.Cc1cc(C(C)C)c(C)cc1C(C)C.Cc1cc(C(C)C)ccc1Oc1ccc(C(C)C)cc1C
InChIInChI=1S/C20H26O.C18H20O.C16H20.C14H19F3.C14H22O2.C14H22.C12H16F2.C12H17F.C12H19N.C12H18O.C11H17N/c1-13(2)17-7-9-19(15(5)11-17)21-20-10-8-18(14(3)4)12-16(20)6;1-11(2)13-5-7-17-15(9-13)16-10-14(12(3)4)6-8-18(16)19-17;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-8(2)11-7-13(14(15,16)17)12(9(3)4)6-10(11)5;1-9(2)11-7-14(16-6)12(10(3)4)8-13(11)15-5;1-9(2)13-7-12(6)14(10(3)4)8-11(13)5;1-7(2)9-5-12(14)10(8(3)4)6-11(9)13;3*1-8(2)10-5-11(9(3)4)7-12(13)6-10;1-8(2)10-5-11(9(3)4)7-12-6-10/h7-14H,1-6H3;5-12H,1-4H3;5-12H,1-4H3;6-9H,1-5H3;7-10H,1-6H3;7-10H,1-6H3;5-8H,1-4H3;5-9H,1-4H3;5-9H,13H2,1-4H3;5-9,13H,1-4H3;5-9H,1-4H3
InChIKeyBNKMCKQWVIDLDJ-UHFFFAOYSA-N
MW2301.43 g/mol
LogP49.79
Rot. Bonds26

About 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene

1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene (PubChem CID 157403229) has the molecular formula C155H216F6N2O5 and a molecular weight of 2301.43 g/mol. Its IUPAC name is 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene
PubChem CID157403229
Molecular FormulaC155H216F6N2O5
Molecular Weight2301.43 g/mol
Exact Mass2299.66
IUPAC Name1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene
SMILESCC(C)c1cc(F)c(C(C)C)cc1F.CC(C)c1cc(F)cc(C(C)C)c1.CC(C)c1cc(N)cc(C(C)C)c1.CC(C)c1cc(O)cc(C(C)C)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2oc3ccc(C(C)C)cc3c2c1.CC(C)c1cncc(C(C)C)c1.COc1cc(C(C)C)c(OC)cc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)cc1C(C)C.Cc1cc(C(C)C)c(C)cc1C(C)C.Cc1cc(C(C)C)ccc1Oc1ccc(C(C)C)cc1C
InChIInChI=1S/C20H26O.C18H20O.C16H20.C14H19F3.C14H22O2.C14H22.C12H16F2.C12H17F.C12H19N.C12H18O.C11H17N/c1-13(2)17-7-9-19(15(5)11-17)21-20-10-8-18(14(3)4)12-16(20)6;1-11(2)13-5-7-17-15(9-13)16-10-14(12(3)4)6-8-18(16)19-17;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-8(2)11-7-13(14(15,16)17)12(9(3)4)6-10(11)5;1-9(2)11-7-14(16-6)12(10(3)4)8-13(11)15-5;1-9(2)13-7-12(6)14(10(3)4)8-11(13)5;1-7(2)9-5-12(14)10(8(3)4)6-11(9)13;3*1-8(2)10-5-11(9(3)4)7-12(13)6-10;1-8(2)10-5-11(9(3)4)7-12-6-10/h7-14H,1-6H3;5-12H,1-4H3;5-12H,1-4H3;6-9H,1-5H3;7-10H,1-6H3;7-10H,1-6H3;5-8H,1-4H3;5-9H,1-4H3;5-9H,13H2,1-4H3;5-9,13H,1-4H3;5-9H,1-4H3
InChIKeyBNKMCKQWVIDLDJ-UHFFFAOYSA-N
XLogP49.79
TPSA99.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002301.43
LogP ≤ 549.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene with MolForge

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Related Compounds

N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide;3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzoic acid
CID 87301910
N-pyridin-3-yl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]-N-[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]phenyl]benzamide
CID 87301911
N-[4-(21-benzo[h]isoquinolin-5-yl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-yl)phenyl]-N-(3,5-difluorophenyl)naphthalen-2-amine
CID 124100257
4-(4-Fluorophenyl)-1-methyl-2-(5-methylnaphtho[2,1-b][1]benzofuran-6-yl)pyridin-1-ium
CID 140827693
4-(4-Fluorophenyl)-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium
CID 140827907
4-(4-Fluorophenyl)-1-methyl-2-(3-methylnaphtho[2,3-b][1]benzofuran-4-yl)pyridin-1-ium
CID 140828109
2-(5-Fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
CID 146786178
2-(5-Fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 147468699
2-(5,11-Difluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1,5-dimethyl-4-propan-2-ylpyridin-1-ium
CID 148907689
2-(5,11-Difluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1,4-dimethyl-5-propan-2-ylpyridin-1-ium
CID 149103445
2-(5,11-Difluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 153464320
2-(5-Fluoro-9-methylnaphtho[2,1-b][1]benzofuran-8-yl)-1-methyl-4-propan-2-ylpyridin-1-ium
CID 153464615

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene?
The IUPAC name of 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene (CID 157403229) is 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene.
What is the SMILES notation for 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene?
The canonical SMILES for 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene is CC(C)c1cc(F)c(C(C)C)cc1F.CC(C)c1cc(F)cc(C(C)C)c1.CC(C)c1cc(N)cc(C(C)C)c1.CC(C)c1cc(O)cc(C(C)C)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2oc3ccc(C(C)C)cc3c2c1.CC(C)c1cncc(C(C)C)c1.COc1cc(C(C)C)c(OC)cc1C(C)C.Cc1cc(C(C)C)c(C(F)(F)F)cc1C(C)C.Cc1cc(C(C)C)c(C)cc1C(C)C.Cc1cc(C(C)C)ccc1Oc1ccc(C(C)C)cc1C.
What is the InChIKey of 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene?
The InChIKey is BNKMCKQWVIDLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O.C18H20O.C16H20.C14H19F3.C14H22O2.C14H22.C12H16F2.C12H17F.C12H19N.C12H18O.C11H17N/c1-13(2)17-7-9-19(15(5)11-17)21-20-10-8-18(14(3)4)12-16(20)6;1-11(2)13-5-7-17-15(9-13)16-10-14(12(3)4)6-8-18(16)19-17;1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-8(2)11-7-13(14(15,16)17)12(9(3)4)6-10(11)5;1-9(2)11-7-14(16-6)12(10(3)4)8-13(11)15-5;1-9(2)13-7-12(6)14(10(3)4)8-11(13)5;1-7(2)9-5-12(14)10(8(3)4)6-11(9)13;3*1-8(2)10-5-11(9(3)4)7-12(13)6-10;1-8(2)10-5-11(9(3)4)7-12-6-10/h7-14H,1-6H3;5-12H,1-4H3;5-12H,1-4H3;6-9H,1-5H3;7-10H,1-6H3;7-10H,1-6H3;5-8H,1-4H3;5-9H,1-4H3;5-9H,13H2,1-4H3;5-9,13H,1-4H3;5-9H,1-4H3.
What are the key properties of 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene?
1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene has a molecular weight of 2301.43 g/mol, XLogP of 49.79, 26 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2,5-di(propan-2-yl)benzene;1,4-dimethoxy-2,5-di(propan-2-yl)benzene;1,4-dimethyl-2,5-di(propan-2-yl)benzene;3,5-di(propan-2-yl)aniline;2,8-di(propan-2-yl)dibenzofuran;2,6-di(propan-2-yl)naphthalene;3,5-di(propan-2-yl)phenol;3,5-di(propan-2-yl)pyridine;1-fluoro-3,5-di(propan-2-yl)benzene;1-methyl-2,5-di(propan-2-yl)-4-(trifluoromethyl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenoxy)-4-propan-2-ylbenzene is sourced from PubChem (CID 157403229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).