(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

C234H266Co3N24O20 — CID 161467360

IUPAC(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
SMILESC.C.C.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.COCC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1-c1c2nc(c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc([n-]3)c(-c3c(NC(=O)[C@H](C)OC)cccc3NC(=O)[C@H](C)OC)c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc1[n-]4)C=C3)C=C2.COc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)[C@H]4CC4(C)C)cccc3NC(=O)[C@H]3CC3(C)C)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)[C@H]5CC5(C)C)cccc4NC(=O)[C@H]4CC4(C)C)c4ccc1[n-]4)C=C3)C=C2.[Co+2].[Co+2].[Co+2]
InChIInChI=1S/C84H98N8O4.C75H88N8O8.C72H74N8O8.3CH4.3Co/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;1-41(89-17)69(85)81-51-23-20-22-50(80-62(84)40-88-16)65(51)67-58-30-26-54(76-58)63(44-34-46(72(4,5)6)38-47(35-44)73(7,8)9)56-28-32-60(78-56)68(66-52(82-70(86)42(2)90-18)24-21-25-53(66)83-71(87)43(3)91-19)61-33-29-57(79-61)64(55-27-31-59(67)77-55)45-36-48(74(10,11)12)39-49(37-45)75(13,14)15;1-69(2)33-37(69)65(81)77-41-17-13-18-42(78-66(82)38-34-70(38,3)4)57(41)59-45-25-29-49(73-45)61(63-53(85-9)21-15-22-54(63)86-10)51-31-27-47(75-51)60(48-28-32-52(76-48)62(50-30-26-46(59)74-50)64-55(87-11)23-16-24-56(64)88-12)58-43(79-67(83)39-35-71(39,5)6)19-14-20-44(58)80-68(84)40-36-72(40,7)8;;;;;;/h21-40,51-54H,41-44H2,1-20H3,(H6,85,86,87,88,89,90,91,92,93,94,95,96);20-39,41-43H,40H2,1-19H3,(H6,76,77,78,79,80,81,82,83,84,85,86,87);13-32,37-40H,33-36H2,1-12H3,(H6,73,74,75,76,77,78,79,80,81,82,83,84);3*1H4;;;/q;;;;;;3*+2/p-6/b67-59-,67-60-,68-61-,68-62-,71-63+,71-65+,72-64+,72-66+;63-54-,63-56-,64-55-,64-57-,67-58+,67-59+,68-60+,68-61+;59-45+,59-46+,60-47+,60-48+,61-49+,61-51+,62-50+,62-52+;;;;;;/t51-,52-,53-,54-;41-,42-,43-;37-,38-,39-,40-;;;;;;/m101....../s1
InChIKeyWCPREBKXRXQMCZ-FJPLZLDBSA-H
MW3911.65 g/mol
LogP51.44
Rot. Bonds44

About (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

(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 (PubChem CID 161467360) has the molecular formula C234H266Co3N24O20 and a molecular weight of 3911.65 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID161467360
Molecular FormulaC234H266Co3N24O20
Molecular Weight3911.65 g/mol
Exact Mass3908.85
IUPAC Name(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
SMILESC.C.C.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.COCC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1-c1c2nc(c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc([n-]3)c(-c3c(NC(=O)[C@H](C)OC)cccc3NC(=O)[C@H](C)OC)c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc1[n-]4)C=C3)C=C2.COc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)[C@H]4CC4(C)C)cccc3NC(=O)[C@H]3CC3(C)C)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)[C@H]5CC5(C)C)cccc4NC(=O)[C@H]4CC4(C)C)c4ccc1[n-]4)C=C3)C=C2.[Co+2].[Co+2].[Co+2]
InChIInChI=1S/C84H98N8O4.C75H88N8O8.C72H74N8O8.3CH4.3Co/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;1-41(89-17)69(85)81-51-23-20-22-50(80-62(84)40-88-16)65(51)67-58-30-26-54(76-58)63(44-34-46(72(4,5)6)38-47(35-44)73(7,8)9)56-28-32-60(78-56)68(66-52(82-70(86)42(2)90-18)24-21-25-53(66)83-71(87)43(3)91-19)61-33-29-57(79-61)64(55-27-31-59(67)77-55)45-36-48(74(10,11)12)39-49(37-45)75(13,14)15;1-69(2)33-37(69)65(81)77-41-17-13-18-42(78-66(82)38-34-70(38,3)4)57(41)59-45-25-29-49(73-45)61(63-53(85-9)21-15-22-54(63)86-10)51-31-27-47(75-51)60(48-28-32-52(76-48)62(50-30-26-46(59)74-50)64-55(87-11)23-16-24-56(64)88-12)58-43(79-67(83)39-35-71(39,5)6)19-14-20-44(58)80-68(84)40-36-72(40,7)8;;;;;;/h21-40,51-54H,41-44H2,1-20H3,(H6,85,86,87,88,89,90,91,92,93,94,95,96);20-39,41-43H,40H2,1-19H3,(H6,76,77,78,79,80,81,82,83,84,85,86,87);13-32,37-40H,33-36H2,1-12H3,(H6,73,74,75,76,77,78,79,80,81,82,83,84);3*1H4;;;/q;;;;;;3*+2/p-6/b67-59-,67-60-,68-61-,68-62-,71-63+,71-65+,72-64+,72-66+;63-54-,63-56-,64-55-,64-57-,67-58+,67-59+,68-60+,68-61+;59-45+,59-46+,60-47+,60-48+,61-49+,61-51+,62-50+,62-52+;;;;;;/t51-,52-,53-,54-;41-,42-,43-;37-,38-,39-,40-;;;;;;/m101....../s1
InChIKeyWCPREBKXRXQMCZ-FJPLZLDBSA-H
XLogP51.44
TPSA584.98 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003911.65
LogP ≤ 551.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze (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 with MolForge

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Related Compounds

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
(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
(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
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(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(cyclopentanecarbonylamino)phenyl]-10,20-bis(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin-5-yl]-3-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 140575218
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
tert-butyl N-[2-[[(2R)-2-methoxypropanoyl]amino]phenyl]carbamate
CID 95247758
N-(3-acetamido-2-tert-butylphenyl)acetamide;N-(3-benzamido-2-tert-butylphenyl)benzamide;(1S)-N-[2-tert-butyl-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-tert-butyl-3-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;N-[2-tert-butyl-3-(2-methylpropanoylamino)phenyl]-2-methylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;N-[2-tert-butyl-3-(propanoylamino)phenyl]propanamide
CID 160601489
N-(5-tert-butyl-2-methoxyphenyl)-2-methoxyacetamide
CID 24657024
zinc 4-[10,15,20-tris(3,4,5-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]benzoic acid
CID 58019362

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C.C.C.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.COCC(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1-c1c2nc(c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc([n-]3)c(-c3c(NC(=O)[C@H](C)OC)cccc3NC(=O)[C@H](C)OC)c3nc(c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc1[n-]4)C=C3)C=C2.COc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)[C@H]4CC4(C)C)cccc3NC(=O)[C@H]3CC3(C)C)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)[C@H]5CC5(C)C)cccc4NC(=O)[C@H]4CC4(C)C)c4ccc1[n-]4)C=C3)C=C2.[Co+2].[Co+2].[Co+2].
What is the InChIKey of (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?
The InChIKey is WCPREBKXRXQMCZ-FJPLZLDBSA-H. The full InChI is InChI=1S/C84H98N8O4.C75H88N8O8.C72H74N8O8.3CH4.3Co/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;1-41(89-17)69(85)81-51-23-20-22-50(80-62(84)40-88-16)65(51)67-58-30-26-54(76-58)63(44-34-46(72(4,5)6)38-47(35-44)73(7,8)9)56-28-32-60(78-56)68(66-52(82-70(86)42(2)90-18)24-21-25-53(66)83-71(87)43(3)91-19)61-33-29-57(79-61)64(55-27-31-59(67)77-55)45-36-48(74(10,11)12)39-49(37-45)75(13,14)15;1-69(2)33-37(69)65(81)77-41-17-13-18-42(78-66(82)38-34-70(38,3)4)57(41)59-45-25-29-49(73-45)61(63-53(85-9)21-15-22-54(63)86-10)51-31-27-47(75-51)60(48-28-32-52(76-48)62(50-30-26-46(59)74-50)64-55(87-11)23-16-24-56(64)88-12)58-43(79-67(83)39-35-71(39,5)6)19-14-20-44(58)80-68(84)40-36-72(40,7)8;;;;;;/h21-40,51-54H,41-44H2,1-20H3,(H6,85,86,87,88,89,90,91,92,93,94,95,96);20-39,41-43H,40H2,1-19H3,(H6,76,77,78,79,80,81,82,83,84,85,86,87);13-32,37-40H,33-36H2,1-12H3,(H6,73,74,75,76,77,78,79,80,81,82,83,84);3*1H4;;;/q;;;;;;3*+2/p-6/b67-59-,67-60-,68-61-,68-62-,71-63+,71-65+,72-64+,72-66+;63-54-,63-56-,64-55-,64-57-,67-58+,67-59+,68-60+,68-61+;59-45+,59-46+,60-47+,60-48+,61-49+,61-51+,62-50+,62-52+;;;;;;/t51-,52-,53-,54-;41-,42-,43-;37-,38-,39-,40-;;;;;;/m101....../s1.
What are the key properties of (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?
(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 has a molecular weight of 3911.65 g/mol, XLogP of 51.44, 44 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 161467360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).