5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin

C44H20F24N4 — CID 135541464

IUPAC5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin
SMILESF/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C44H20F24N4/c45-33(34(46)36(49,50)38(53,54)41(59,60)43(63,64)65)31-25-13-11-21(69-25)29(19-7-3-1-4-8-19)23-15-17-27(71-23)32(35(47,48)37(51,52)39(55,56)40(57,58)42(61,62)44(66,67)68)28-18-16-24(72-28)30(20-9-5-2-6-10-20)22-12-14-26(31)70-22/h1-18,69,72H/b29-21-,29-23-,30-22-,30-24-,31-25+,31-26+,32-27+,32-28+,34-33+
InChIKeyHWOOMBQZOQEAOM-DSJKQOPXSA-N
MW1060.62 g/mol
LogP16.26
Rot. Bonds11

About 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin

5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin (PubChem CID 135541464) has the molecular formula C44H20F24N4 and a molecular weight of 1060.62 g/mol. Its IUPAC name is 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin
PubChem CID135541464
Molecular FormulaC44H20F24N4
Molecular Weight1060.62 g/mol
Exact Mass1060.13
IUPAC Name5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin
SMILESF/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C44H20F24N4/c45-33(34(46)36(49,50)38(53,54)41(59,60)43(63,64)65)31-25-13-11-21(69-25)29(19-7-3-1-4-8-19)23-15-17-27(71-23)32(35(47,48)37(51,52)39(55,56)40(57,58)42(61,62)44(66,67)68)28-18-16-24(72-28)30(20-9-5-2-6-10-20)22-12-14-26(31)70-22/h1-18,69,72H/b29-21-,29-23-,30-22-,30-24-,31-25+,31-26+,32-27+,32-28+,34-33+
InChIKeyHWOOMBQZOQEAOM-DSJKQOPXSA-N
XLogP16.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001060.62
LogP ≤ 516.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin with MolForge

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Related Compounds

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15-ethynyl-10,20-diphenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-21,22-dihydroporphyrin
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10,20-diphenyl-5,15-bis(trifluoromethyl)-21,22-dihydroporphyrin
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2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 11029223
platinum;5,10,15,20-tetrakis(1,1,2,2,3,3,3-heptafluoropropyl)-21,22-dihydroporphyrin
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5,15-bis(1,1,2,2,3,3,3-heptafluoropropyl)-10,20-bis(2,3,4,5,6-pentafluorophenyl)-21,22-dihydroporphyrin
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copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
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boric acid;manganese;5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
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manganese(3+);5,10,15,20-tetraphenyl-21,22-dihydroporphyrin;trichloride
CID 11657844
10,20-diphenyl-15-(trifluoromethyl)-21,22-dihydroporphyrin
CID 11497978
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Frequently Asked Questions

What is the IUPAC name of 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin?
The IUPAC name of 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin (CID 135541464) is 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin is F/C(=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin?
The InChIKey is HWOOMBQZOQEAOM-DSJKQOPXSA-N. The full InChI is InChI=1S/C44H20F24N4/c45-33(34(46)36(49,50)38(53,54)41(59,60)43(63,64)65)31-25-13-11-21(69-25)29(19-7-3-1-4-8-19)23-15-17-27(71-23)32(35(47,48)37(51,52)39(55,56)40(57,58)42(61,62)44(66,67)68)28-18-16-24(72-28)30(20-9-5-2-6-10-20)22-12-14-26(31)70-22/h1-18,69,72H/b29-21-,29-23-,30-22-,30-24-,31-25+,31-26+,32-27+,32-28+,34-33+.
What are the key properties of 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin?
5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin has a molecular weight of 1060.62 g/mol, XLogP of 16.26, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-diphenyl-10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-20-[(E)-1,2,3,3,4,4,5,5,6,6,6-undecafluorohex-1-enyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 135541464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).