5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin

C64H26F16N8 — CID 22721619

IUPAC5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin
SMILESFc1c(F)c(-c2c3nc(c(-c4c(F)c(F)c(-c5ccccn5)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(-c5ccccn5)c(F)c4F)c4nc(c(-c5c(F)c(F)c(-c6ccccn6)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c(F)c1-c1ccccn1
InChIInChI=1S/C64H26F16N8/c65-49-41(25-9-1-5-21-81-25)50(66)58(74)45(57(49)73)37-29-13-15-31(85-29)38(46-59(75)51(67)42(52(68)60(46)76)26-10-2-6-22-82-26)33-17-19-35(87-33)40(48-63(79)55(71)44(56(72)64(48)80)28-12-4-8-24-84-28)36-20-18-34(88-36)39(32-16-14-30(37)86-32)47-61(77)53(69)43(54(70)62(47)78)27-11-3-7-23-83-27/h1-24,85,88H/b37-29+,37-30+,38-31+,38-33+,39-32+,39-34+,40-35+,40-36+
InChIKeyWUUUBJGAHNMHEA-QWIQDVOISA-N
MW1210.94 g/mol
LogP17.80
Rot. Bonds8

About 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin (PubChem CID 22721619) has the molecular formula C64H26F16N8 and a molecular weight of 1210.94 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin
PubChem CID22721619
Molecular FormulaC64H26F16N8
Molecular Weight1210.94 g/mol
Exact Mass1210.20
IUPAC Name5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin
SMILESFc1c(F)c(-c2c3nc(c(-c4c(F)c(F)c(-c5ccccn5)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(-c5ccccn5)c(F)c4F)c4nc(c(-c5c(F)c(F)c(-c6ccccn6)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c(F)c1-c1ccccn1
InChIInChI=1S/C64H26F16N8/c65-49-41(25-9-1-5-21-81-25)50(66)58(74)45(57(49)73)37-29-13-15-31(85-29)38(46-59(75)51(67)42(52(68)60(46)76)26-10-2-6-22-82-26)33-17-19-35(87-33)40(48-63(79)55(71)44(56(72)64(48)80)28-12-4-8-24-84-28)36-20-18-34(88-36)39(32-16-14-30(37)86-32)47-61(77)53(69)43(54(70)62(47)78)27-11-3-7-23-83-27/h1-24,85,88H/b37-29+,37-30+,38-31+,38-33+,39-32+,39-34+,40-35+,40-36+
InChIKeyWUUUBJGAHNMHEA-QWIQDVOISA-N
XLogP17.80
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.94
LogP ≤ 517.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin (CID 22721619) is 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin is Fc1c(F)c(-c2c3nc(c(-c4c(F)c(F)c(-c5ccccn5)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(-c5ccccn5)c(F)c4F)c4nc(c(-c5c(F)c(F)c(-c6ccccn6)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c(F)c1-c1ccccn1.
What is the InChIKey of 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin?
The InChIKey is WUUUBJGAHNMHEA-QWIQDVOISA-N. The full InChI is InChI=1S/C64H26F16N8/c65-49-41(25-9-1-5-21-81-25)50(66)58(74)45(57(49)73)37-29-13-15-31(85-29)38(46-59(75)51(67)42(52(68)60(46)76)26-10-2-6-22-82-26)33-17-19-35(87-33)40(48-63(79)55(71)44(56(72)64(48)80)28-12-4-8-24-84-28)36-20-18-34(88-36)39(32-16-14-30(37)86-32)47-61(77)53(69)43(54(70)62(47)78)27-11-3-7-23-83-27/h1-24,85,88H/b37-29+,37-30+,38-31+,38-33+,39-32+,39-34+,40-35+,40-36+.
What are the key properties of 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin has a molecular weight of 1210.94 g/mol, XLogP of 17.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2,3,5,6-tetrafluoro-4-pyridin-2-ylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 22721619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).