4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline

C41H24F12N6 — CID 162643901

IUPAC4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)c(F)c(-c2c3nc(c4ccc([nH]4)c(-c4c(F)c(F)c(N(C)C)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)cc(F)c4F)c4ccc2[nH]4)C=C3)c(F)c1F
InChIInChI=1S/C41H24F12N6/c1-58(2)40-36(50)32(46)28(33(47)37(40)51)25-18-7-5-16(54-18)17-6-8-19(55-17)26(29-34(48)38(52)41(59(3)4)39(53)35(29)49)23-12-10-21(57-23)24(20-9-11-22(25)56-20)27-30(44)14(42)13-15(43)31(27)45/h5-13,54,56-57H,1-4H3/b17-16-,24-20+,24-21+,25-18+,25-22+,26-19+,26-23+
InChIKeyQTAQFJHIDFPBIX-NTJADFIASA-N
MW828.66 g/mol
LogP11.50
Rot. Bonds5

About 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline

4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline (PubChem CID 162643901) has the molecular formula C41H24F12N6 and a molecular weight of 828.66 g/mol. Its IUPAC name is 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
PubChem CID162643901
Molecular FormulaC41H24F12N6
Molecular Weight828.66 g/mol
Exact Mass828.19
IUPAC Name4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)c(F)c(-c2c3nc(c4ccc([nH]4)c(-c4c(F)c(F)c(N(C)C)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)cc(F)c4F)c4ccc2[nH]4)C=C3)c(F)c1F
InChIInChI=1S/C41H24F12N6/c1-58(2)40-36(50)32(46)28(33(47)37(40)51)25-18-7-5-16(54-18)17-6-8-19(55-17)26(29-34(48)38(52)41(59(3)4)39(53)35(29)49)23-12-10-21(57-23)24(20-9-11-22(25)56-20)27-30(44)14(42)13-15(43)31(27)45/h5-13,54,56-57H,1-4H3/b17-16-,24-20+,24-21+,25-18+,25-22+,26-19+,26-23+
InChIKeyQTAQFJHIDFPBIX-NTJADFIASA-N
XLogP11.50
TPSA66.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.66
LogP ≤ 511.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline?
The IUPAC name of 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline (CID 162643901) is 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline is CN(C)c1c(F)c(F)c(-c2c3nc(c4ccc([nH]4)c(-c4c(F)c(F)c(N(C)C)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)cc(F)c4F)c4ccc2[nH]4)C=C3)c(F)c1F.
What is the InChIKey of 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline?
The InChIKey is QTAQFJHIDFPBIX-NTJADFIASA-N. The full InChI is InChI=1S/C41H24F12N6/c1-58(2)40-36(50)32(46)28(33(47)37(40)51)25-18-7-5-16(54-18)17-6-8-19(55-17)26(29-34(48)38(52)41(59(3)4)39(53)35(29)49)23-12-10-21(57-23)24(20-9-11-22(25)56-20)27-30(44)14(42)13-15(43)31(27)45/h5-13,54,56-57H,1-4H3/b17-16-,24-20+,24-21+,25-18+,25-22+,26-19+,26-23+.
What are the key properties of 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline?
4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline has a molecular weight of 828.66 g/mol, XLogP of 11.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[15-[4-(dimethylamino)-2,3,5,6-tetrafluorophenyl]-10-(2,3,5,6-tetrafluorophenyl)-23,24-dihydro-22H-corrin-5-yl]-2,3,5,6-tetrafluoro-N,N-dimethylaniline is sourced from PubChem (CID 162643901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).