(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+)

C84H96CoN8O4 — CID 11251907

IUPAC(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+)
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)[C@H]5CC5(C)C)cccc4NC(=O)[C@H]4CC4(C)C)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)[C@H]6CC6(C)C)cccc5NC(=O)[C@H]5CC5(C)C)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/C84H98N8O4.Co/c1-77(2,3)47-35-45(36-48(39-47)78(4,5)6)67-59-27-31-63(85-59)71(69-55(89-73(93)51-41-81(51,13)14)23-21-24-56(69)90-74(94)52-42-82(52,15)16)65-33-29-61(87-65)68(46-37-49(79(7,8)9)40-50(38-46)80(10,11)12)62-30-34-66(88-62)72(64-32-28-60(67)86-64)70-57(91-75(95)53-43-83(53,17)18)25-22-26-58(70)92-76(96)54-44-84(54,19)20;/h21-40,51-54H,41-44H2,1-20H3,(H6,85,86,87,88,89,90,91,92,93,94,95,96);/q;+2/p-2/b67-59-,67-60-,68-61-,68-62-,71-63+,71-65+,72-64+,72-66+;/t51-,52-,53-,54-;/m1./s1
InChIKeyBYRDUHUAWFGXIF-RIPFJEIGSA-L
MW1340.68 g/mol
LogP19.71
Rot. Bonds12

About (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+)

(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+) (PubChem CID 11251907) has the molecular formula C84H96CoN8O4 and a molecular weight of 1340.68 g/mol. Its IUPAC name is (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+).

Molecular Properties

Compound Name(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+)
PubChem CID11251907
Molecular FormulaC84H96CoN8O4
Molecular Weight1340.68 g/mol
Exact Mass1339.69
IUPAC Name(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+)
SMILESCC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)[C@H]5CC5(C)C)cccc4NC(=O)[C@H]4CC4(C)C)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)[C@H]6CC6(C)C)cccc5NC(=O)[C@H]5CC5(C)C)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.[Co+2]
InChIInChI=1S/C84H98N8O4.Co/c1-77(2,3)47-35-45(36-48(39-47)78(4,5)6)67-59-27-31-63(85-59)71(69-55(89-73(93)51-41-81(51,13)14)23-21-24-56(69)90-74(94)52-42-82(52,15)16)65-33-29-61(87-65)68(46-37-49(79(7,8)9)40-50(38-46)80(10,11)12)62-30-34-66(88-62)72(64-32-28-60(67)86-64)70-57(91-75(95)53-43-83(53,17)18)25-22-26-58(70)92-76(96)54-44-84(54,19)20;/h21-40,51-54H,41-44H2,1-20H3,(H6,85,86,87,88,89,90,91,92,93,94,95,96);/q;+2/p-2/b67-59-,67-60-,68-61-,68-62-,71-63+,71-65+,72-64+,72-66+;/t51-,52-,53-,54-;/m1./s1
InChIKeyBYRDUHUAWFGXIF-RIPFJEIGSA-L
XLogP19.71
TPSA170.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001340.68
LogP ≤ 519.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (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+) with MolForge

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Related Compounds

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[(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-[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
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
cis-(1S,2R)-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]-21,23-dihydroporphyrin-5-yl]-3-[[(1S,2S)-2-methyl-2-phenylcyclopropanecarbonyl]amino]phenyl]-2-methyl-2-phenylcyclopropane-1-carboxamide
CID 166436558
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
(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
dizinc;5,15-bis(3,5-ditert-butylphenyl)-10-phenyl-20-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)ethynyl]porphyrin-22,24-diide
CID 56653139
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
copper 5,10,20-tris(3,5-ditert-butylphenyl)-15-(4-iodophenyl)porphyrin-21,23-diid-2-ol
CID 135480498
(1S)-N-[3-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-2-[15-[2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]-6-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-10,20-diphenyl-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91013926

Frequently Asked Questions

What is the IUPAC name of (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+)?
The IUPAC name of (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) is (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+).
What is the SMILES notation for (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+)?
The canonical SMILES for (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+) is CC(C)(C)c1cc(-c2c3nc(c(-c4c(NC(=O)[C@H]5CC5(C)C)cccc4NC(=O)[C@H]4CC4(C)C)c4ccc([n-]4)c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4nc(c(-c5c(NC(=O)[C@H]6CC6(C)C)cccc5NC(=O)[C@H]5CC5(C)C)c5ccc2[n-]5)C=C4)C=C3)cc(C(C)(C)C)c1.[Co+2].
What is the InChIKey of (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+)?
The InChIKey is BYRDUHUAWFGXIF-RIPFJEIGSA-L. The full InChI is InChI=1S/C84H98N8O4.Co/c1-77(2,3)47-35-45(36-48(39-47)78(4,5)6)67-59-27-31-63(85-59)71(69-55(89-73(93)51-41-81(51,13)14)23-21-24-56(69)90-74(94)52-42-82(52,15)16)65-33-29-61(87-65)68(46-37-49(79(7,8)9)40-50(38-46)80(10,11)12)62-30-34-66(88-62)72(64-32-28-60(67)86-64)70-57(91-75(95)53-43-83(53,17)18)25-22-26-58(70)92-76(96)54-44-84(54,19)20;/h21-40,51-54H,41-44H2,1-20H3,(H6,85,86,87,88,89,90,91,92,93,94,95,96);/q;+2/p-2/b67-59-,67-60-,68-61-,68-62-,71-63+,71-65+,72-64+,72-66+;/t51-,52-,53-,54-;/m1./s1.
What are the key properties of (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+)?
(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+) has a molecular weight of 1340.68 g/mol, XLogP of 19.71, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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+) is sourced from PubChem (CID 11251907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).