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

C68H68Co2N8O12P6 — CID 158654365

IUPACN-[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
SMILESCOc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)C4CCCO4)cccc3NC(=O)C3CCCO3)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)C5CCCO5)cccc4NC(=O)C4CCCO4)c4ccc1[n-]4)C=C3)C=C2.P1P234PP12(P3)P4.[Co+2].[Co]
InChIInChI=1S/C68H66N8O12.2Co.H4P6/c1-81-49-17-7-18-50(82-2)63(49)61-45-29-25-41(69-45)59(57-37(73-65(77)53-21-9-33-85-53)13-5-14-38(57)74-66(78)54-22-10-34-86-54)43-27-31-47(71-43)62(64-51(83-3)19-8-20-52(64)84-4)48-32-28-44(72-48)60(42-26-30-46(61)70-42)58-39(75-67(79)55-23-11-35-87-55)15-6-16-40(58)76-68(80)56-24-12-36-88-56;;;1-5-2-6(1,5,3-5)4-5/h5-8,13-20,25-32,53-56H,9-12,21-24,33-36H2,1-4H3,(H6,69,70,71,72,73,74,75,76,77,78,79,80);;;1-4H/q;;+2;/p-2/b59-41+,59-43+,60-42+,60-44+,61-45+,61-46+,62-47+,62-48+;;;
InChIKeyWMEXUVKKZRKSMR-FDYKLRBESA-L
MW1493.05 g/mol
LogP15.18
Rot. Bonds16

About 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

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 (PubChem CID 158654365) has the molecular formula C68H68Co2N8O12P6 and a molecular weight of 1493.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158654365
Molecular FormulaC68H68Co2N8O12P6
Molecular Weight1493.05 g/mol
Exact Mass1492.20
IUPAC NameN-[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
SMILESCOc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)C4CCCO4)cccc3NC(=O)C3CCCO3)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)C5CCCO5)cccc4NC(=O)C4CCCO4)c4ccc1[n-]4)C=C3)C=C2.P1P234PP12(P3)P4.[Co+2].[Co]
InChIInChI=1S/C68H66N8O12.2Co.H4P6/c1-81-49-17-7-18-50(82-2)63(49)61-45-29-25-41(69-45)59(57-37(73-65(77)53-21-9-33-85-53)13-5-14-38(57)74-66(78)54-22-10-34-86-54)43-27-31-47(71-43)62(64-51(83-3)19-8-20-52(64)84-4)48-32-28-44(72-48)60(42-26-30-46(61)70-42)58-39(75-67(79)55-23-11-35-87-55)15-6-16-40(58)76-68(80)56-24-12-36-88-56;;;1-5-2-6(1,5,3-5)4-5/h5-8,13-20,25-32,53-56H,9-12,21-24,33-36H2,1-4H3,(H6,69,70,71,72,73,74,75,76,77,78,79,80);;;1-4H/q;;+2;/p-2/b59-41+,59-43+,60-42+,60-44+,61-45+,61-46+,62-47+,62-48+;;;
InChIKeyWMEXUVKKZRKSMR-FDYKLRBESA-L
XLogP15.18
TPSA244.22 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001493.05
LogP ≤ 515.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[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
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-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
(2S)-N-(3,5-dimethoxyphenyl)oxolane-2-carboxamide
CID 9096652
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(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-methoxybenzoyl)oxolane-2-carbohydrazide
CID 748723
(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 58409794
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(OC)c1-c1c2nc(c(-c3c(NC(=O)C4CCCO4)cccc3NC(=O)C3CCCO3)c3ccc([n-]3)c(-c3c(OC)cccc3OC)c3nc(c(-c4c(NC(=O)C5CCCO5)cccc4NC(=O)C4CCCO4)c4ccc1[n-]4)C=C3)C=C2.P1P234PP12(P3)P4.[Co+2].[Co].
What is the InChIKey of 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?
The InChIKey is WMEXUVKKZRKSMR-FDYKLRBESA-L. The full InChI is InChI=1S/C68H66N8O12.2Co.H4P6/c1-81-49-17-7-18-50(82-2)63(49)61-45-29-25-41(69-45)59(57-37(73-65(77)53-21-9-33-85-53)13-5-14-38(57)74-66(78)54-22-10-34-86-54)43-27-31-47(71-43)62(64-51(83-3)19-8-20-52(64)84-4)48-32-28-44(72-48)60(42-26-30-46(61)70-42)58-39(75-67(79)55-23-11-35-87-55)15-6-16-40(58)76-68(80)56-24-12-36-88-56;;;1-5-2-6(1,5,3-5)4-5/h5-8,13-20,25-32,53-56H,9-12,21-24,33-36H2,1-4H3,(H6,69,70,71,72,73,74,75,76,77,78,79,80);;;1-4H/q;;+2;/p-2/b59-41+,59-43+,60-42+,60-44+,61-45+,61-46+,62-47+,62-48+;;;.
What are the key properties of 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?
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 has a molecular weight of 1493.05 g/mol, XLogP of 15.18, 16 rotatable bonds, 4 hydrogen bond donors, and 14 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(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 is sourced from PubChem (CID 158654365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).