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

C42H20F10N6 — CID 154053299

IUPAC5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-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(c3c(F)c(F)c(F)c(F)c3F)c3ccc2[nH]3)c(F)c1F
InChIInChI=1S/C42H20F10N6/c43-33-31(34(44)38(48)41(51)37(33)47)29-23-5-3-21(56-23)27(17-9-13-53-14-10-17)19-1-2-20(55-19)28(18-11-15-54-16-12-18)22-4-6-24(57-22)30(26-8-7-25(29)58-26)32-35(45)39(49)42(52)40(50)36(32)46/h1-16,55-58H
InChIKeyJEXRNKYOZSJGLT-UHFFFAOYSA-N
MW798.64 g/mol
LogP6.48
Rot. Bonds4

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

5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin (PubChem CID 154053299) has the molecular formula C42H20F10N6 and a molecular weight of 798.64 g/mol. Its IUPAC name is 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

Compound Name5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
PubChem CID154053299
Molecular FormulaC42H20F10N6
Molecular Weight798.64 g/mol
Exact Mass798.16
IUPAC Name5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-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(c3c(F)c(F)c(F)c(F)c3F)c3ccc2[nH]3)c(F)c1F
InChIInChI=1S/C42H20F10N6/c43-33-31(34(44)38(48)41(51)37(33)47)29-23-5-3-21(56-23)27(17-9-13-53-14-10-17)19-1-2-20(55-19)28(18-11-15-54-16-12-18)22-4-6-24(57-22)30(26-8-7-25(29)58-26)32-35(45)39(49)42(52)40(50)36(32)46/h1-16,55-58H
InChIKeyJEXRNKYOZSJGLT-UHFFFAOYSA-N
XLogP6.48
TPSA88.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.64
LogP ≤ 56.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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

5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 91460206
5,10-bis(5-bromo-3-pyridinyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 154080106
2,12,22-tris(4-methylphenyl)-7,17,27-tris(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(31),2,4,6,8,10,12,14,16(34),17,19,21,23,25,27,29-hexadecaene
CID 132503776
4-[3-[3-(3,5-dipyridin-4-ylphenyl)-2,4,5,6-tetrafluorophenyl]-5-pyridin-4-ylphenyl]pyridine
CID 132917715
2,7,12,22,27,32-hexakis(2,3,4,5,6-pentafluorophenyl)-17,37-diphenyl-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41),39-docosaene
CID 139256846
4-(2,3,4,5-tetrafluoro-6-pyridin-4-ylphenyl)pyridine
CID 87660487
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-pyren-1-yl-21,22,23,24-tetrahydroporphyrin
CID 91568475
6,11,16-tris(2,3,4,5,6-pentafluorophenyl)-8,20,21,23-tetrazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1,3,5(23),6,8,10,12,14,16,18-decaene
CID 136916270
2,7,12,17,22,27,32,37-octakis(2,3,4,5,6-pentafluorophenyl)-41,42,43,44,45,46,47,48-octazanonacyclo[36.2.1.13,6.18,11.113,16.118,21.123,26.128,31.133,36]octatetraconta-1,3,5,7,9,11(47),12,14,16,18(45),19,21,23,25,27,29,31(43),32,34,36,38(41)-henicosaene
CID 132566666
5-(4-methylphenyl)-10-phenyl-15,20-dipyridin-3-yl-21,22,23,24-tetrahydroporphyrin
CID 90850065
4-(2,3,4,6-tetrafluorophenyl)pyridine
CID 46317135

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The IUPAC name of 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin (CID 154053299) is 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin.
What is the SMILES notation for 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The canonical SMILES for 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-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(c3c(F)c(F)c(F)c(F)c3F)c3ccc2[nH]3)c(F)c1F.
What is the InChIKey of 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
The InChIKey is JEXRNKYOZSJGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H20F10N6/c43-33-31(34(44)38(48)41(51)37(33)47)29-23-5-3-21(56-23)27(17-9-13-53-14-10-17)19-1-2-20(55-19)28(18-11-15-54-16-12-18)22-4-6-24(57-22)30(26-8-7-25(29)58-26)32-35(45)39(49)42(52)40(50)36(32)46/h1-16,55-58H.
What are the key properties of 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin?
5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin has a molecular weight of 798.64 g/mol, XLogP of 6.48, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis(2,3,4,5,6-pentafluorophenyl)-15,20-dipyridin-4-yl-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 154053299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).