5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin

C56H38F16N4O8 — CID 135897830

IUPAC5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin
SMILESCOCCOc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(OCCOC)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(OCCOC)c(F)c4F)c4nc(c(-c5c(F)c(F)c(OCCOC)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C56H38F16N4O8/c1-77-13-17-81-53-45(65)37(57)33(38(58)46(53)66)29-21-5-7-23(73-21)30(34-39(59)47(67)54(48(68)40(34)60)82-18-14-78-2)25-9-11-27(75-25)32(36-43(63)51(71)56(52(72)44(36)64)84-20-16-80-4)28-12-10-26(76-28)31(24-8-6-22(29)74-24)35-41(61)49(69)55(50(70)42(35)62)83-19-15-79-3/h5-12,73,76H,13-20H2,1-4H3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+
InChIKeyUYHGFSCWOCOVBY-QQZXBORTSA-N
MW1198.91 g/mol
LogP13.65
Rot. Bonds20

About 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin

5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin (PubChem CID 135897830) has the molecular formula C56H38F16N4O8 and a molecular weight of 1198.91 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin
PubChem CID135897830
Molecular FormulaC56H38F16N4O8
Molecular Weight1198.91 g/mol
Exact Mass1198.24
IUPAC Name5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin
SMILESCOCCOc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(OCCOC)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(OCCOC)c(F)c4F)c4nc(c(-c5c(F)c(F)c(OCCOC)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F
InChIInChI=1S/C56H38F16N4O8/c1-77-13-17-81-53-45(65)37(57)33(38(58)46(53)66)29-21-5-7-23(73-21)30(34-39(59)47(67)54(48(68)40(34)60)82-18-14-78-2)25-9-11-27(75-25)32(36-43(63)51(71)56(52(72)44(36)64)84-20-16-80-4)28-12-10-26(76-28)31(24-8-6-22(29)74-24)35-41(61)49(69)55(50(70)42(35)62)83-19-15-79-3/h5-12,73,76H,13-20H2,1-4H3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+
InChIKeyUYHGFSCWOCOVBY-QQZXBORTSA-N
XLogP13.65
TPSA131.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.91
LogP ≤ 513.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin (CID 135897830) is 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin is COCCOc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(OCCOC)c(F)c4F)c4ccc([nH]4)c(-c4c(F)c(F)c(OCCOC)c(F)c4F)c4nc(c(-c5c(F)c(F)c(OCCOC)c(F)c5F)c5ccc2[nH]5)C=C4)C=C3)c(F)c1F.
What is the InChIKey of 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin?
The InChIKey is UYHGFSCWOCOVBY-QQZXBORTSA-N. The full InChI is InChI=1S/C56H38F16N4O8/c1-77-13-17-81-53-45(65)37(57)33(38(58)46(53)66)29-21-5-7-23(73-21)30(34-39(59)47(67)54(48(68)40(34)60)82-18-14-78-2)25-9-11-27(75-25)32(36-43(63)51(71)56(52(72)44(36)64)84-20-16-80-4)28-12-10-26(76-28)31(24-8-6-22(29)74-24)35-41(61)49(69)55(50(70)42(35)62)83-19-15-79-3/h5-12,73,76H,13-20H2,1-4H3/b29-21+,29-22+,30-23+,30-25+,31-24+,31-26+,32-27+,32-28+.
What are the key properties of 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin?
5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin has a molecular weight of 1198.91 g/mol, XLogP of 13.65, 20 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[2,3,5,6-tetrafluoro-4-(2-methoxyethoxy)phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 135897830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).