5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin

C50H29F5N4O — CID 135524771

IUPAC5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESFc1c(F)c(F)c(Oc2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)c(F)c1F
InChIInChI=1S/C50H29F5N4O/c51-45-46(52)48(54)50(49(55)47(45)53)60-32-18-16-31(17-19-32)44-39-26-24-37(58-39)42(29-12-6-2-7-13-29)35-22-20-33(56-35)41(28-10-4-1-5-11-28)34-21-23-36(57-34)43(30-14-8-3-9-15-30)38-25-27-40(44)59-38/h1-27,56,59H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyDLCMIMMYFPXMDQ-LWQDQPMZSA-N
MW796.80 g/mol
LogP13.81
Rot. Bonds6

About 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin

5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin (PubChem CID 135524771) has the molecular formula C50H29F5N4O and a molecular weight of 796.80 g/mol. Its IUPAC name is 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
PubChem CID135524771
Molecular FormulaC50H29F5N4O
Molecular Weight796.80 g/mol
Exact Mass796.23
IUPAC Name5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin
SMILESFc1c(F)c(F)c(Oc2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)c(F)c1F
InChIInChI=1S/C50H29F5N4O/c51-45-46(52)48(54)50(49(55)47(45)53)60-32-18-16-31(17-19-32)44-39-26-24-37(58-39)42(29-12-6-2-7-13-29)35-22-20-33(56-35)41(28-10-4-1-5-11-28)34-21-23-36(57-34)43(30-14-8-3-9-15-30)38-25-27-40(44)59-38/h1-27,56,59H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-
InChIKeyDLCMIMMYFPXMDQ-LWQDQPMZSA-N
XLogP13.81
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.80
LogP ≤ 513.81
H-Bond Donors ≤ 52
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'}

Analyze 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin with MolForge

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Related Compounds

5,10,15,20-Tetrakis(4-hydroxyphenyl)porphyrin
CID 135438030
4-(10,15,20-Triphenylporphyrin-5-yl)phenol
CID 135524769
Exeporfinium chloride
CID 135456185
5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin
CID 135404412
4-[15-(4-Hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135409863
4-(15-Phenyl-21,23-dihydroporphyrin-5-yl)phenol
CID 135428027
5,15-bis-(3-Methoxy-phenyl)-porphyrin
CID 135503060
5,15-Bis(4-methoxyphenyl)porphyrin
CID 135922930
2-[2,3,5,6-Tetrafluoro-4-[10,15,20-tris[2,3,5,6-tetrafluoro-4-(2-hydroxyethoxy)phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethanol
CID 135960762
5-(4-Methoxyphenyl)-15-phenylporphyrin
CID 135404821
5-(3-Methoxyphenyl)-15-phenyl-21,23-dihydroporphyrin
CID 135438562
5-(3-Methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135503083

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The IUPAC name of 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin (CID 135524771) is 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The canonical SMILES for 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin is Fc1c(F)c(F)c(Oc2ccc(-c3c4nc(c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)c(F)c1F.
What is the InChIKey of 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
The InChIKey is DLCMIMMYFPXMDQ-LWQDQPMZSA-N. The full InChI is InChI=1S/C50H29F5N4O/c51-45-46(52)48(54)50(49(55)47(45)53)60-32-18-16-31(17-19-32)44-39-26-24-37(58-39)42(29-12-6-2-7-13-29)35-22-20-33(56-35)41(28-10-4-1-5-11-28)34-21-23-36(57-34)43(30-14-8-3-9-15-30)38-25-27-40(44)59-38/h1-27,56,59H/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-.
What are the key properties of 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin?
5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin has a molecular weight of 796.80 g/mol, XLogP of 13.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-10,15,20-triphenyl-21,23-dihydroporphyrin is sourced from PubChem (CID 135524771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).