5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin

C37H15F11N4 — CID 162651867

IUPAC5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin
SMILESFc1cc(F)c(F)c(-c2c3ccc([nH]3)c(-c3c(F)c(F)cc(F)c3F)c3nc(c4ccc([nH]4)c(-c4c(F)c(F)cc(F)c4F)c4ccc2[nH]4)C=C3)c1
InChIInChI=1S/C37H15F11N4/c38-13-9-14(33(44)15(39)10-13)28-22-5-7-26(51-22)29(31-34(45)16(40)11-17(41)35(31)46)24-3-1-20(49-24)21-2-4-25(50-21)30(27-8-6-23(28)52-27)32-36(47)18(42)12-19(43)37(32)48/h1-12,49,51-52H/b21-20-,28-22-,28-23-,29-24+,29-26+,30-25+,30-27+
InChIKeyFPJJGVGXHRQJEN-GCMUTNQRSA-N
MW724.53 g/mol
LogP11.23
Rot. Bonds3

About 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin

5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin (PubChem CID 162651867) has the molecular formula C37H15F11N4 and a molecular weight of 724.53 g/mol. Its IUPAC name is 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin.

Molecular Properties

Compound Name5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin
PubChem CID162651867
Molecular FormulaC37H15F11N4
Molecular Weight724.53 g/mol
Exact Mass724.11
IUPAC Name5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin
SMILESFc1cc(F)c(F)c(-c2c3ccc([nH]3)c(-c3c(F)c(F)cc(F)c3F)c3nc(c4ccc([nH]4)c(-c4c(F)c(F)cc(F)c4F)c4ccc2[nH]4)C=C3)c1
InChIInChI=1S/C37H15F11N4/c38-13-9-14(33(44)15(39)10-13)28-22-5-7-26(51-22)29(31-34(45)16(40)11-17(41)35(31)46)24-3-1-20(49-24)21-2-4-25(50-21)30(27-8-6-23(28)52-27)32-36(47)18(42)12-19(43)37(32)48/h1-12,49,51-52H/b21-20-,28-22-,28-23-,29-24+,29-26+,30-25+,30-27+
InChIKeyFPJJGVGXHRQJEN-GCMUTNQRSA-N
XLogP11.23
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.53
LogP ≤ 511.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin 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 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin?
The IUPAC name of 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin (CID 162651867) is 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin.
What is the SMILES notation for 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin?
The canonical SMILES for 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin is Fc1cc(F)c(F)c(-c2c3ccc([nH]3)c(-c3c(F)c(F)cc(F)c3F)c3nc(c4ccc([nH]4)c(-c4c(F)c(F)cc(F)c4F)c4ccc2[nH]4)C=C3)c1.
What is the InChIKey of 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin?
The InChIKey is FPJJGVGXHRQJEN-GCMUTNQRSA-N. The full InChI is InChI=1S/C37H15F11N4/c38-13-9-14(33(44)15(39)10-13)28-22-5-7-26(51-22)29(31-34(45)16(40)11-17(41)35(31)46)24-3-1-20(49-24)21-2-4-25(50-21)30(27-8-6-23(28)52-27)32-36(47)18(42)12-19(43)37(32)48/h1-12,49,51-52H/b21-20-,28-22-,28-23-,29-24+,29-26+,30-25+,30-27+.
What are the key properties of 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin?
5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin has a molecular weight of 724.53 g/mol, XLogP of 11.23, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(2,3,5,6-tetrafluorophenyl)-10-(2,3,5-trifluorophenyl)-22,23-dihydro-21H-corrin is sourced from PubChem (CID 162651867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).