cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide

C68H30CoF44N8O8 — CID 174234561

IUPACcobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide
SMILESO=C(Nc1ccccc1-c1c2nc(c(-c3ccccc3NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c3ccc([nH]3)c(-c3ccccc3NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c3nc(c(-c4ccccc4NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c4ccc1[nH]4)C=C3)C=C2)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Co]
InChIInChI=1S/C68H30F44N8O8.Co/c69-49(57(81,82)83,125-65(105,106)53(73,74)61(93,94)95)45(121)117-29-13-5-1-9-25(29)41-33-17-19-35(113-33)42(26-10-2-6-14-30(26)118-46(122)50(70,58(84,85)86)126-66(107,108)54(75,76)62(96,97)98)37-21-23-39(115-37)44(28-12-4-8-16-32(28)120-48(124)52(72,60(90,91)92)128-68(111,112)56(79,80)64(102,103)104)40-24-22-38(116-40)43(36-20-18-34(41)114-36)27-11-3-7-15-31(27)119-47(123)51(71,59(87,88)89)127-67(109,110)55(77,78)63(99,100)101;/h1-24,113,116H,(H,117,121)(H,118,122)(H,119,123)(H,120,124);/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyJEQVWIHNWBJGPI-DAJBKUBHSA-N
MW1981.88 g/mol
LogP23.22
Rot. Bonds24

About cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide

cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide (PubChem CID 174234561) has the molecular formula C68H30CoF44N8O8 and a molecular weight of 1981.88 g/mol. Its IUPAC name is cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide.

Molecular Properties

Compound Namecobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide
PubChem CID174234561
Molecular FormulaC68H30CoF44N8O8
Molecular Weight1981.88 g/mol
Exact Mass1981.08
IUPAC Namecobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide
SMILESO=C(Nc1ccccc1-c1c2nc(c(-c3ccccc3NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c3ccc([nH]3)c(-c3ccccc3NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c3nc(c(-c4ccccc4NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c4ccc1[nH]4)C=C3)C=C2)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Co]
InChIInChI=1S/C68H30F44N8O8.Co/c69-49(57(81,82)83,125-65(105,106)53(73,74)61(93,94)95)45(121)117-29-13-5-1-9-25(29)41-33-17-19-35(113-33)42(26-10-2-6-14-30(26)118-46(122)50(70,58(84,85)86)126-66(107,108)54(75,76)62(96,97)98)37-21-23-39(115-37)44(28-12-4-8-16-32(28)120-48(124)52(72,60(90,91)92)128-68(111,112)56(79,80)64(102,103)104)40-24-22-38(116-40)43(36-20-18-34(41)114-36)27-11-3-7-15-31(27)119-47(123)51(71,59(87,88)89)127-67(109,110)55(77,78)63(99,100)101;/h1-24,113,116H,(H,117,121)(H,118,122)(H,119,123)(H,120,124);/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyJEQVWIHNWBJGPI-DAJBKUBHSA-N
XLogP23.22
TPSA210.68 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001981.88
LogP ≤ 523.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide?
The IUPAC name of cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide (CID 174234561) is cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide.
What is the SMILES notation for cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide?
The canonical SMILES for cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide is O=C(Nc1ccccc1-c1c2nc(c(-c3ccccc3NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c3ccc([nH]3)c(-c3ccccc3NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c3nc(c(-c4ccccc4NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c4ccc1[nH]4)C=C3)C=C2)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.[Co].
What is the InChIKey of cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide?
The InChIKey is JEQVWIHNWBJGPI-DAJBKUBHSA-N. The full InChI is InChI=1S/C68H30F44N8O8.Co/c69-49(57(81,82)83,125-65(105,106)53(73,74)61(93,94)95)45(121)117-29-13-5-1-9-25(29)41-33-17-19-35(113-33)42(26-10-2-6-14-30(26)118-46(122)50(70,58(84,85)86)126-66(107,108)54(75,76)62(96,97)98)37-21-23-39(115-37)44(28-12-4-8-16-32(28)120-48(124)52(72,60(90,91)92)128-68(111,112)56(79,80)64(102,103)104)40-24-22-38(116-40)43(36-20-18-34(41)114-36)27-11-3-7-15-31(27)119-47(123)51(71,59(87,88)89)127-67(109,110)55(77,78)63(99,100)101;/h1-24,113,116H,(H,117,121)(H,118,122)(H,119,123)(H,120,124);/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;.
What are the key properties of cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide?
cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide has a molecular weight of 1981.88 g/mol, XLogP of 23.22, 24 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[2-[10,15,20-tris[2-[[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]amino]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide is sourced from PubChem (CID 174234561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).