5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin

C52H22F24N4 — CID 10724982

IUPAC5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin
SMILESFC(F)(F)c1cc(-c2c3nc(c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccc([nH]4)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccc([nH]4)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4nc2C=C4)C=C3)cc(C(F)(F)F)c1
InChIInChI=1S/C52H22F24N4/c53-45(54,55)25-9-21(10-26(17-25)46(56,57)58)41-33-1-2-34(77-33)42(22-11-27(47(59,60)61)18-28(12-22)48(62,63)64)36-5-6-38(79-36)44(24-15-31(51(71,72)73)20-32(16-24)52(74,75)76)40-8-7-39(80-40)43(37-4-3-35(41)78-37)23-13-29(49(65,66)67)19-30(14-23)50(68,69)70/h1-20,77-78H/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-
InChIKeyANHHZSJBWMHYSF-JAAFTSFNSA-N
MW1158.73 g/mol
LogP19.47
Rot. Bonds4

About 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin

5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin (PubChem CID 10724982) has the molecular formula C52H22F24N4 and a molecular weight of 1158.73 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin
PubChem CID10724982
Molecular FormulaC52H22F24N4
Molecular Weight1158.73 g/mol
Exact Mass1158.15
IUPAC Name5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin
SMILESFC(F)(F)c1cc(-c2c3nc(c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccc([nH]4)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccc([nH]4)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4nc2C=C4)C=C3)cc(C(F)(F)F)c1
InChIInChI=1S/C52H22F24N4/c53-45(54,55)25-9-21(10-26(17-25)46(56,57)58)41-33-1-2-34(77-33)42(22-11-27(47(59,60)61)18-28(12-22)48(62,63)64)36-5-6-38(79-36)44(24-15-31(51(71,72)73)20-32(16-24)52(74,75)76)40-8-7-39(80-40)43(37-4-3-35(41)78-37)23-13-29(49(65,66)67)19-30(14-23)50(68,69)70/h1-20,77-78H/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-
InChIKeyANHHZSJBWMHYSF-JAAFTSFNSA-N
XLogP19.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001158.73
LogP ≤ 519.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin (CID 10724982) is 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin is FC(F)(F)c1cc(-c2c3nc(c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccc([nH]4)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4ccc([nH]4)c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c4nc2C=C4)C=C3)cc(C(F)(F)F)c1.
What is the InChIKey of 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin?
The InChIKey is ANHHZSJBWMHYSF-JAAFTSFNSA-N. The full InChI is InChI=1S/C52H22F24N4/c53-45(54,55)25-9-21(10-26(17-25)46(56,57)58)41-33-1-2-34(77-33)42(22-11-27(47(59,60)61)18-28(12-22)48(62,63)64)36-5-6-38(79-36)44(24-15-31(51(71,72)73)20-32(16-24)52(74,75)76)40-8-7-39(80-40)43(37-4-3-35(41)78-37)23-13-29(49(65,66)67)19-30(14-23)50(68,69)70/h1-20,77-78H/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-.
What are the key properties of 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin?
5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin has a molecular weight of 1158.73 g/mol, XLogP of 19.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[3,5-bis(trifluoromethyl)phenyl]-21,22-dihydroporphyrin is sourced from PubChem (CID 10724982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).