2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene

C150H188F6N6O5 — CID 158803608

IUPAC2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)CC1.CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(C#N)c(C#N)c3)cc2)CC1.CCCCc1ccc(-c2ccc(-c3ncc(CCC)cn3)cc2)cc1.[C-]#[N+]c1cc(C#N)ccc1OC(=O)c1ccc(C2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C32H45F.2C26H28N2O2.C23H26N2.C22H31F3O.C21H30F2/c1-3-5-6-8-25-11-15-28(16-12-25)30-21-22-31(32(33)23-30)29-19-17-27(18-20-29)26-13-9-24(7-4-2)10-14-26;1-3-4-5-6-19-7-10-21(11-8-19)22-12-14-23(15-13-22)26(29)30-25-16-9-20(18-27)17-24(25)28-2;1-2-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26(29)30-25-15-14-23(17-27)24(16-25)18-28;1-3-5-7-18-8-10-20(11-9-18)21-12-14-22(15-13-21)23-24-16-19(6-4-2)17-25-23;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25;1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h17-26,28H,3-16H2,1-2H3;9,12-17,19,21H,3-8,10-11H2,1H3;10-16,19-20H,2-9H2,1H3;8-17H,3-7H2,1-2H3;12-19H,2-11H2,1H3;12-18H,2-11H2,1H3
InChIKeyITUJWDNYGPXKKB-UHFFFAOYSA-N
MW2269.18 g/mol
LogP44.52
Rot. Bonds39

About 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene

2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene (PubChem CID 158803608) has the molecular formula C150H188F6N6O5 and a molecular weight of 2269.18 g/mol. Its IUPAC name is 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
PubChem CID158803608
Molecular FormulaC150H188F6N6O5
Molecular Weight2269.18 g/mol
Exact Mass2267.45
IUPAC Name2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
SMILESCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)CC1.CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(C#N)c(C#N)c3)cc2)CC1.CCCCc1ccc(-c2ccc(-c3ncc(CCC)cn3)cc2)cc1.[C-]#[N+]c1cc(C#N)ccc1OC(=O)c1ccc(C2CCC(CCCCC)CC2)cc1
InChIInChI=1S/C32H45F.2C26H28N2O2.C23H26N2.C22H31F3O.C21H30F2/c1-3-5-6-8-25-11-15-28(16-12-25)30-21-22-31(32(33)23-30)29-19-17-27(18-20-29)26-13-9-24(7-4-2)10-14-26;1-3-4-5-6-19-7-10-21(11-8-19)22-12-14-23(15-13-22)26(29)30-25-16-9-20(18-27)17-24(25)28-2;1-2-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26(29)30-25-15-14-23(17-27)24(16-25)18-28;1-3-5-7-18-8-10-20(11-9-18)21-12-14-22(15-13-21)23-24-16-19(6-4-2)17-25-23;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25;1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h17-26,28H,3-16H2,1-2H3;9,12-17,19,21H,3-8,10-11H2,1H3;10-16,19-20H,2-9H2,1H3;8-17H,3-7H2,1-2H3;12-19H,2-11H2,1H3;12-18H,2-11H2,1H3
InChIKeyITUJWDNYGPXKKB-UHFFFAOYSA-N
XLogP44.52
TPSA163.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds39
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002269.18
LogP ≤ 544.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene (CID 158803608) is 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene is CCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(OC(F)(F)F)cc3)CC2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)CC1.CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(C#N)c(C#N)c3)cc2)CC1.CCCCc1ccc(-c2ccc(-c3ncc(CCC)cn3)cc2)cc1.[C-]#[N+]c1cc(C#N)ccc1OC(=O)c1ccc(C2CCC(CCCCC)CC2)cc1.
What is the InChIKey of 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
The InChIKey is ITUJWDNYGPXKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45F.2C26H28N2O2.C23H26N2.C22H31F3O.C21H30F2/c1-3-5-6-8-25-11-15-28(16-12-25)30-21-22-31(32(33)23-30)29-19-17-27(18-20-29)26-13-9-24(7-4-2)10-14-26;1-3-4-5-6-19-7-10-21(11-8-19)22-12-14-23(15-13-22)26(29)30-25-16-9-20(18-27)17-24(25)28-2;1-2-3-4-5-19-6-8-20(9-7-19)21-10-12-22(13-11-21)26(29)30-25-15-14-23(17-27)24(16-25)18-28;1-3-5-7-18-8-10-20(11-9-18)21-12-14-22(15-13-21)23-24-16-19(6-4-2)17-25-23;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25;1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-20(22)21(23)14-19/h17-26,28H,3-16H2,1-2H3;9,12-17,19,21H,3-8,10-11H2,1H3;10-16,19-20H,2-9H2,1H3;8-17H,3-7H2,1-2H3;12-19H,2-11H2,1H3;12-18H,2-11H2,1H3.
What are the key properties of 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene?
2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene has a molecular weight of 2269.18 g/mol, XLogP of 44.52, 39 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-butylphenyl)phenyl]-5-propylpyrimidine;(4-cyano-2-isocyanophenyl) 4-(4-pentylcyclohexyl)benzoate;(3,4-dicyanophenyl) 4-(4-pentylcyclohexyl)benzoate;1,2-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene;1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 158803608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).