5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin

C41H24F5N7 — CID 90982815

IUPAC5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESFc1c(F)c(F)c(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)c(F)c1F
InChIInChI=1S/C41H24F5N7/c42-37-36(38(43)40(45)41(46)39(37)44)35-30-7-5-28(52-30)33(22-11-17-48-18-12-22)26-3-1-24(50-26)32(21-9-15-47-16-10-21)25-2-4-27(51-25)34(23-13-19-49-20-14-23)29-6-8-31(35)53-29/h1-20,50-53H
InChIKeyMMWCNKSQCGOTEV-UHFFFAOYSA-N
MW709.68 g/mol
LogP5.18
Rot. Bonds4

About 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin

5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 90982815) has the molecular formula C41H24F5N7 and a molecular weight of 709.68 g/mol. Its IUPAC name is 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID90982815
Molecular FormulaC41H24F5N7
Molecular Weight709.68 g/mol
Exact Mass709.20
IUPAC Name5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
SMILESFc1c(F)c(F)c(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)c(F)c1F
InChIInChI=1S/C41H24F5N7/c42-37-36(38(43)40(45)41(46)39(37)44)35-30-7-5-28(52-30)33(22-11-17-48-18-12-22)26-3-1-24(50-26)32(21-9-15-47-16-10-21)25-2-4-27(51-25)34(23-13-19-49-20-14-23)29-6-8-31(35)53-29/h1-20,50-53H
InChIKeyMMWCNKSQCGOTEV-UHFFFAOYSA-N
XLogP5.18
TPSA101.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.68
LogP ≤ 55.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
meso-Tetrakis(2-N-methylpyridyl)porphine
CID 135398505
5,10,15,20-Tetra(4-pyridyl)porphyrin
CID 135411729
Gevotroline
CID 60547
5,10,15,20-Tetra(1-methyl-4-pyridyl)-porphyrin
CID 4234
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-pyridin-3-yl-1H-indole
CID 10805130
4-[5-(1-Ethyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 15550445
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-1H-pyrrole
CID 21922663
tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
Carvotroline
CID 72038
4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridine
CID 11011691
4-[2-(4-Fluoro-phenyl)-4-methyl-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399291

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin (CID 90982815) is 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin is Fc1c(F)c(F)c(C2=c3ccc([nH]3)=C(c3ccncc3)c3ccc([nH]3)C(c3ccncc3)=c3ccc([nH]3)=C(c3ccncc3)c3ccc2[nH]3)c(F)c1F.
What is the InChIKey of 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is MMWCNKSQCGOTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24F5N7/c42-37-36(38(43)40(45)41(46)39(37)44)35-30-7-5-28(52-30)33(22-11-17-48-18-12-22)26-3-1-24(50-26)32(21-9-15-47-16-10-21)25-2-4-27(51-25)34(23-13-19-49-20-14-23)29-6-8-31(35)53-29/h1-20,50-53H.
What are the key properties of 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 709.68 g/mol, XLogP of 5.18, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5,6-pentafluorophenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 90982815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).