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+)

C80H88CoN8O8 — CID 59403751

IUPACN-[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+)
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)C5CCCO5)cccc4NC(=O)C4CCCO4)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)C6CCCO6)cccc5NC(=O)C5CCCO5)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/C80H90N8O8.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;/h13-14,19-22,27-34,39-44,63-66H,15-18,23-26,35-38H2,1-12H3,(H6,81,82,83,84,85,86,87,88,89,90,91,92);/q;+2/p-2/b67-55-,67-56-,68-57-,68-58-,71-59+,71-61+,72-60+,72-62+;
InChIKeyFPANZZSHFQWYGX-KWBOTSECSA-L
MW1348.56 g/mol
LogP16.24
Rot. Bonds12

About 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+)

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+) (PubChem CID 59403751) has the molecular formula C80H88CoN8O8 and a molecular weight of 1348.56 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound NameN-[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+)
PubChem CID59403751
Molecular FormulaC80H88CoN8O8
Molecular Weight1348.56 g/mol
Exact Mass1347.61
IUPAC NameN-[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+)
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)C5CCCO5)cccc4NC(=O)C4CCCO4)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)C6CCCO6)cccc5NC(=O)C5CCCO5)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/C80H90N8O8.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;/h13-14,19-22,27-34,39-44,63-66H,15-18,23-26,35-38H2,1-12H3,(H6,81,82,83,84,85,86,87,88,89,90,91,92);/q;+2/p-2/b67-55-,67-56-,68-57-,68-58-,71-59+,71-61+,72-60+,72-62+;
InChIKeyFPANZZSHFQWYGX-KWBOTSECSA-L
XLogP16.24
TPSA207.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001348.56
LogP ≤ 516.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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+) with MolForge

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Related Compounds

(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
(1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;cobalt(2+)
CID 11251907
cobalt(2+);trans-(1S,2S)-N-[2-[10,20-bis(3,5-ditert-butylphenyl)-15-[2-[[(1S,2R)-2-methyl-2-phenylcyclopropanecarbonyl]amino]-6-[[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(1S,2R)-2-methyl-2-phenylcyclopropanecarbonyl]amino]phenyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 166436557
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
N-[2-[15-[2,6-bis[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-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(2,6-dimethoxyphenyl)porphyrin-22,24-diid-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;tris(cobalt(2+))
CID 158036265
(1R)-N-[2-[10,20-bis(4-acetylphenyl)-15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]porphyrin-22,24-diid-5-yl]-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;cobalt(2+)
CID 59773182
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
(2S)-N-[2-[10,20-bis(3,5-ditert-butylphenyl)-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;(1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(3,5-ditert-butylphenyl)porphyrin-22,24-diid-5-yl]-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;(1S)-N-[2-[15-[2,6-bis[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-bis(2,6-dimethoxyphenyl)porphyrin-22,24-diid-5-yl]-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;tris(cobalt(2+));methane
CID 161467360
(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
(2S)-N-(4-tert-butylphenyl)oxolane-2-carboxamide
CID 8779725
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is CC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)C5CCCO5)cccc4NC(=O)C4CCCO4)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)C6CCCO6)cccc5NC(=O)C5CCCO5)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.[Co+2].
What is the InChIKey of 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+)?
The InChIKey is FPANZZSHFQWYGX-KWBOTSECSA-L. The full InChI is InChI=1S/C80H90N8O8.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;/h13-14,19-22,27-34,39-44,63-66H,15-18,23-26,35-38H2,1-12H3,(H6,81,82,83,84,85,86,87,88,89,90,91,92);/q;+2/p-2/b67-55-,67-56-,68-57-,68-58-,71-59+,71-61+,72-60+,72-62+;.
What are the key properties of 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+)?
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+) has a molecular weight of 1348.56 g/mol, XLogP of 16.24, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 59403751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).