(2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)

C80H89CoN8O8 — CID 59403745

IUPAC(2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)
SMILESCC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3c(NC(=O)[C@@H]4CCCO4)cccc3NC(=O)[C@@H]3CCCO3)=c3/cc/c([n-]3)=C(\c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3C=C/C(=C(\c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc2[n-]4)[N-]3)cc(C(C)(C)C)c1.[Co+3]
InChIInChI=1S/C80H92N8O8.Co/c1-77(2,3)47-39-45(40-48(43-47)78(4,5)6)67-55-27-31-59(81-55)71(69-51(85-73(89)63-23-15-35-93-63)19-13-20-52(69)86-74(90)64-24-16-36-94-64)61-33-29-57(83-61)68(46-41-49(79(7,8)9)44-50(42-46)80(10,11)12)58-30-34-62(84-58)72(60-32-28-56(67)82-60)70-53(87-75(91)65-25-17-37-95-65)21-14-22-54(70)88-76(92)66-26-18-38-96-66;/h13-14,19-22,27-34,39-44,55,63-66H,15-18,23-26,35-38H2,1-12H3,(H7,81,82,83,84,85,86,87,88,89,90,91,92);/q;+3/p-3/b67-56-;/t55?,63-,64-,65-,66-;/m0./s1
InChIKeyKMZFXLNYPSIDIN-NKDGSRMJSA-K
MW1349.57 g/mol
LogP13.21
Rot. Bonds12

About (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)

(2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+) (PubChem CID 59403745) has the molecular formula C80H89CoN8O8 and a molecular weight of 1349.57 g/mol. Its IUPAC name is (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+).

Molecular Properties

Compound Name(2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)
PubChem CID59403745
Molecular FormulaC80H89CoN8O8
Molecular Weight1349.57 g/mol
Exact Mass1348.61
IUPAC Name(2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)
SMILESCC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3c(NC(=O)[C@@H]4CCCO4)cccc3NC(=O)[C@@H]3CCCO3)=c3/cc/c([n-]3)=C(\c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3C=C/C(=C(\c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc2[n-]4)[N-]3)cc(C(C)(C)C)c1.[Co+3]
InChIInChI=1S/C80H92N8O8.Co/c1-77(2,3)47-39-45(40-48(43-47)78(4,5)6)67-55-27-31-59(81-55)71(69-51(85-73(89)63-23-15-35-93-63)19-13-20-52(69)86-74(90)64-24-16-36-94-64)61-33-29-57(83-61)68(46-41-49(79(7,8)9)44-50(42-46)80(10,11)12)58-30-34-62(84-58)72(60-32-28-56(67)82-60)70-53(87-75(91)65-25-17-37-95-65)21-14-22-54(70)88-76(92)66-26-18-38-96-66;/h13-14,19-22,27-34,39-44,55,63-66H,15-18,23-26,35-38H2,1-12H3,(H7,81,82,83,84,85,86,87,88,89,90,91,92);/q;+3/p-3/b67-56-;/t55?,63-,64-,65-,66-;/m0./s1
InChIKeyKMZFXLNYPSIDIN-NKDGSRMJSA-K
XLogP13.21
TPSA207.98 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.57
LogP ≤ 513.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+) with MolForge

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Related Compounds

N-[2-[15-[2,6-bis[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-10,20-bis[3,5-bis(2,4,6-trimethylphenyl)phenyl]-1H-porphyrin-21,22,24-triid-5-yl]-3-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[15-[2,6-bis[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-[15-[2,6-bis(2-methoxypropanoylamino)phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-(2-methoxypropanoylamino)phenyl]-2-methoxypropanamide;cobalt(2+);bis(cobalt(3+));sulfane
CID 158345258
N-[2-[15-[2,6-bis(oxolane-2-carbonylamino)phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-(oxolane-2-carbonylamino)phenyl]oxolane-2-carboxamide;cobalt(2+)
CID 59403751
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
(2S)-N-[2-[10,20-bis(2,6-dimethoxyphenyl)-15-[2-[(2-methoxyacetyl)amino]-6-[[(2S)-2-methoxypropanoyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;(2S)-N-[2-[15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;tris(cobalt(2+))
CID 158370965
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
(2S)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
CID 7379449
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
(2S)-N-[3-[(2-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 31700256
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
N-[2-[15-[2,6-bis(oxolane-2-carbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-(oxolane-2-carbonylamino)phenyl]oxolane-2-carboxamide;cobalt;cobalt(2+);1λ5,2,3λ5,4,5,6-hexaphosphatetracyclo[1.1.1.11,3.01,3]hexane
CID 158654365

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)?
The IUPAC name of (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+) (CID 59403745) is (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+).
What is the SMILES notation for (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)?
The canonical SMILES for (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+) is CC(C)(C)c1cc(/C2=C3\C=CC(=N3)/C(c3c(NC(=O)[C@@H]4CCCO4)cccc3NC(=O)[C@@H]3CCCO3)=c3/cc/c([n-]3)=C(\c3cc(C(C)(C)C)cc(C(C)(C)C)c3)C3C=C/C(=C(\c4c(NC(=O)[C@@H]5CCCO5)cccc4NC(=O)[C@@H]4CCCO4)c4ccc2[n-]4)[N-]3)cc(C(C)(C)C)c1.[Co+3].
What is the InChIKey of (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)?
The InChIKey is KMZFXLNYPSIDIN-NKDGSRMJSA-K. The full InChI is InChI=1S/C80H92N8O8.Co/c1-77(2,3)47-39-45(40-48(43-47)78(4,5)6)67-55-27-31-59(81-55)71(69-51(85-73(89)63-23-15-35-93-63)19-13-20-52(69)86-74(90)64-24-16-36-94-64)61-33-29-57(83-61)68(46-41-49(79(7,8)9)44-50(42-46)80(10,11)12)58-30-34-62(84-58)72(60-32-28-56(67)82-60)70-53(87-75(91)65-25-17-37-95-65)21-14-22-54(70)88-76(92)66-26-18-38-96-66;/h13-14,19-22,27-34,39-44,55,63-66H,15-18,23-26,35-38H2,1-12H3,(H7,81,82,83,84,85,86,87,88,89,90,91,92);/q;+3/p-3/b67-56-;/t55?,63-,64-,65-,66-;/m0./s1.
What are the key properties of (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+)?
(2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+) has a molecular weight of 1349.57 g/mol, XLogP of 13.21, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(4Z,10Z,15Z,19Z)-15-[2,6-bis[[(2S)-oxolane-2-carbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)-1H-porphyrin-21,22,24-triid-5-yl]-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;cobalt(3+) is sourced from PubChem (CID 59403745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).