5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin

C52H25F12N7 — CID 91277025

IUPAC5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin
SMILESFc1c(F)c(-c2ccccn2)c(F)c(F)c1C1=C2CC=C(N2)C(c2c(F)c(F)c(-c3ccccn3)c(F)c2F)=c2ccc([nH]2)=C(c2c(F)c(F)c(-c3ccccn3)c(F)c2F)c2ccc([nH]2)-c2ccc1[nH]2
InChIInChI=1S/C52H25F12N7/c53-41-35(23-7-1-4-18-65-23)42(54)48(60)38(47(41)59)32-26-12-10-21(68-26)22-11-13-27(69-22)33(39-49(61)43(55)36(44(56)50(39)62)24-8-2-5-19-66-24)29-15-17-31(71-29)34(30-16-14-28(32)70-30)40-51(63)45(57)37(46(58)52(40)64)25-9-3-6-20-67-25/h1-14,16-20,68-71H,15H2
InChIKeyCSOVSGVBPOBPGX-UHFFFAOYSA-N
MW975.80 g/mol
LogP11.29
Rot. Bonds6

About 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin

5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin (PubChem CID 91277025) has the molecular formula C52H25F12N7 and a molecular weight of 975.80 g/mol. Its IUPAC name is 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin.

Molecular Properties

Compound Name5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin
PubChem CID91277025
Molecular FormulaC52H25F12N7
Molecular Weight975.80 g/mol
Exact Mass975.20
IUPAC Name5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin
SMILESFc1c(F)c(-c2ccccn2)c(F)c(F)c1C1=C2CC=C(N2)C(c2c(F)c(F)c(-c3ccccn3)c(F)c2F)=c2ccc([nH]2)=C(c2c(F)c(F)c(-c3ccccn3)c(F)c2F)c2ccc([nH]2)-c2ccc1[nH]2
InChIInChI=1S/C52H25F12N7/c53-41-35(23-7-1-4-18-65-23)42(54)48(60)38(47(41)59)32-26-12-10-21(68-26)22-11-13-27(69-22)33(39-49(61)43(55)36(44(56)50(39)62)24-8-2-5-19-66-24)29-15-17-31(71-29)34(30-16-14-28(32)70-30)40-51(63)45(57)37(46(58)52(40)64)25-9-3-6-20-67-25/h1-14,16-20,68-71H,15H2
InChIKeyCSOVSGVBPOBPGX-UHFFFAOYSA-N
XLogP11.29
TPSA98.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.80
LogP ≤ 511.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin with MolForge

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Related Compounds

2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-ethylamine
CID 44399613
4-(2-(4-fluorophenyl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrrol-3-yl)pyridine
CID 44411480
2-[[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]methyl]piperazine
CID 44453570
4-[2,5-Bis-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 18939011
4-[2-(2,4-Difluoro-phenyl)-5-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44324019
4-[2-(3,4-Difluoro-phenyl)-5-phenyl-1H-pyrrol-3-yl]-pyridine
CID 44324026
4-[5-Phenyl-2-(4-trifluoromethyl-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 44324061
4-[3,5-Bis-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372638
4-[5-(4-Ethyl-phenyl)-3-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372846
4-[3-(4-Fluoro-phenyl)-5-p-tolyl-1H-pyrrol-2-yl]-pyridine
CID 44372847
4-[5-(4-tert-Butyl-phenyl)-3-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372856
4-(2-(4-fluorophenyl)-5-(pyrrolidin-2-yl)-1H-pyrrol-3-yl)pyridine
CID 44411046

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin?
The IUPAC name of 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin (CID 91277025) is 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin.
What is the SMILES notation for 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin?
The canonical SMILES for 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin is Fc1c(F)c(-c2ccccn2)c(F)c(F)c1C1=C2CC=C(N2)C(c2c(F)c(F)c(-c3ccccn3)c(F)c2F)=c2ccc([nH]2)=C(c2c(F)c(F)c(-c3ccccn3)c(F)c2F)c2ccc([nH]2)-c2ccc1[nH]2.
What is the InChIKey of 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin?
The InChIKey is CSOVSGVBPOBPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H25F12N7/c53-41-35(23-7-1-4-18-65-23)42(54)48(60)38(47(41)59)32-26-12-10-21(68-26)22-11-13-27(69-22)33(39-49(61)43(55)36(44(56)50(39)62)24-8-2-5-19-66-24)29-15-17-31(71-29)34(30-16-14-28(32)70-30)40-51(63)45(57)37(46(58)52(40)64)25-9-3-6-20-67-25/h1-14,16-20,68-71H,15H2.
What are the key properties of 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin?
5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin has a molecular weight of 975.80 g/mol, XLogP of 11.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,22,23,24-tetrahydro-7H-corrin is sourced from PubChem (CID 91277025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).