2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran

C126H111F5N6OSi — CID 161169128

IUPAC2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran
SMILESCc1c(C)c(-c2ccccc2)n(-c2ccccc2)c1F.Cc1c(C)c(-c2ccncc2)n(-c2ccccc2)c1-c1ccccc1.Cc1c(C)c(C(F)(F)F)n(-c2ccccc2)c1-c1ccccc1.Cc1c(C)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)n(-c2ccccc2)c1-c1ccccc1.Cc1c(F)oc(-c2ccccc2)c1C.[2H]c1c(C)c(C)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C36H31NSi.C23H20N2.C19H16F3N.C18H16FN.C18H17N.C12H11FO/c1-28-29(2)36(37(31-20-10-4-11-21-31)35(28)30-18-8-3-9-19-30)38(32-22-12-5-13-23-32,33-24-14-6-15-25-33)34-26-16-7-17-27-34;1-17-18(2)23(20-13-15-24-16-14-20)25(21-11-7-4-8-12-21)22(17)19-9-5-3-6-10-19;1-13-14(2)18(19(20,21)22)23(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15;1-13-14(2)18(19)20(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15;1-14-13-19(17-11-7-4-8-12-17)18(15(14)2)16-9-5-3-6-10-16;1-8-9(2)12(13)14-11(8)10-6-4-3-5-7-10/h3-27H,1-2H3;3-16H,1-2H3;3-12H,1-2H3;3-12H,1-2H3;3-13H,1-2H3;3-7H,1-2H3/i;;;;13D;
InChIKeyUQYGMPYRKPVNIG-GUIRMUDZSA-N
MW1849.40 g/mol
LogP31.11
Rot. Bonds16

About 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran

2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran (PubChem CID 161169128) has the molecular formula C126H111F5N6OSi and a molecular weight of 1849.40 g/mol. Its IUPAC name is 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran.

Molecular Properties

Compound Name2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran
PubChem CID161169128
Molecular FormulaC126H111F5N6OSi
Molecular Weight1849.40 g/mol
Exact Mass1847.86
IUPAC Name2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran
SMILESCc1c(C)c(-c2ccccc2)n(-c2ccccc2)c1F.Cc1c(C)c(-c2ccncc2)n(-c2ccccc2)c1-c1ccccc1.Cc1c(C)c(C(F)(F)F)n(-c2ccccc2)c1-c1ccccc1.Cc1c(C)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)n(-c2ccccc2)c1-c1ccccc1.Cc1c(F)oc(-c2ccccc2)c1C.[2H]c1c(C)c(C)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C36H31NSi.C23H20N2.C19H16F3N.C18H16FN.C18H17N.C12H11FO/c1-28-29(2)36(37(31-20-10-4-11-21-31)35(28)30-18-8-3-9-19-30)38(32-22-12-5-13-23-32,33-24-14-6-15-25-33)34-26-16-7-17-27-34;1-17-18(2)23(20-13-15-24-16-14-20)25(21-11-7-4-8-12-21)22(17)19-9-5-3-6-10-19;1-13-14(2)18(19(20,21)22)23(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15;1-13-14(2)18(19)20(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15;1-14-13-19(17-11-7-4-8-12-17)18(15(14)2)16-9-5-3-6-10-16;1-8-9(2)12(13)14-11(8)10-6-4-3-5-7-10/h3-27H,1-2H3;3-16H,1-2H3;3-12H,1-2H3;3-12H,1-2H3;3-13H,1-2H3;3-7H,1-2H3/i;;;;13D;
InChIKeyUQYGMPYRKPVNIG-GUIRMUDZSA-N
XLogP31.11
TPSA50.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001849.40
LogP ≤ 531.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran?
The IUPAC name of 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran (CID 161169128) is 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran.
What is the SMILES notation for 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran?
The canonical SMILES for 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran is Cc1c(C)c(-c2ccccc2)n(-c2ccccc2)c1F.Cc1c(C)c(-c2ccncc2)n(-c2ccccc2)c1-c1ccccc1.Cc1c(C)c(C(F)(F)F)n(-c2ccccc2)c1-c1ccccc1.Cc1c(C)c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)n(-c2ccccc2)c1-c1ccccc1.Cc1c(F)oc(-c2ccccc2)c1C.[2H]c1c(C)c(C)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran?
The InChIKey is UQYGMPYRKPVNIG-GUIRMUDZSA-N. The full InChI is InChI=1S/C36H31NSi.C23H20N2.C19H16F3N.C18H16FN.C18H17N.C12H11FO/c1-28-29(2)36(37(31-20-10-4-11-21-31)35(28)30-18-8-3-9-19-30)38(32-22-12-5-13-23-32,33-24-14-6-15-25-33)34-26-16-7-17-27-34;1-17-18(2)23(20-13-15-24-16-14-20)25(21-11-7-4-8-12-21)22(17)19-9-5-3-6-10-19;1-13-14(2)18(19(20,21)22)23(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15;1-13-14(2)18(19)20(16-11-7-4-8-12-16)17(13)15-9-5-3-6-10-15;1-14-13-19(17-11-7-4-8-12-17)18(15(14)2)16-9-5-3-6-10-16;1-8-9(2)12(13)14-11(8)10-6-4-3-5-7-10/h3-27H,1-2H3;3-16H,1-2H3;3-12H,1-2H3;3-12H,1-2H3;3-13H,1-2H3;3-7H,1-2H3/i;;;;13D;.
What are the key properties of 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran?
2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran has a molecular weight of 1849.40 g/mol, XLogP of 31.11, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-3,4-dimethyl-1,5-diphenylpyrrole;4-(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)pyridine;(3,4-dimethyl-1,5-diphenylpyrrol-2-yl)-triphenylsilane;3,4-dimethyl-1,2-diphenyl-5-(trifluoromethyl)pyrrole;2-fluoro-3,4-dimethyl-1,5-diphenylpyrrole;2-fluoro-3,4-dimethyl-5-phenylfuran is sourced from PubChem (CID 161169128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).