(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+)

C72H68CoN8O6 — CID 59773182

About (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+)

(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+) (PubChem CID 59773182) has the molecular formula C72H68CoN8O6 and a molecular weight of 1200.32 g/mol. Its IUPAC name is (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+).

Molecular Properties

• Compound Name: (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+)
• PubChem CID: 59773182
• Molecular Formula: C72H68CoN8O6
• Molecular Weight: 1200.32 g/mol
• Exact Mass: 1199.46
• IUPAC Name: (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+)
• SMILES: CC(=O)c1ccc(-c2c3nc(c(-c4c(NC(=O)[C@H]5CC5(C)C)cccc4NC(=O)[C@@H]4CC4(C)C)c4ccc([n-]4)c(-c4ccc(C(C)=O)cc4)c4nc(c(-c5c(NC(=O)[C@H]6CC6(C)C)cccc5NC(=O)[C@@H]5CC5(C)C)c5ccc2[n-]5)C=C4)C=C3)cc1.[Co+2]
• InChI: InChI=1S/C72H70N8O6.Co/c1-37(81)39-17-21-41(22-18-39)59-51-25-29-55(73-51)63(61-47(77-65(83)43-33-69(43,3)4)13-11-14-48(61)78-66(84)44-34-70(44,5)6)57-31-27-53(75-57)60(42-23-19-40(20-24-42)38(2)82)54-28-32-58(76-54)64(56-30-26-52(59)74-56)62-49(79-67(85)45-35-71(45,7)8)15-12-16-50(62)80-68(86)46-36-72(46,9)10;/h11-32,43-46H,33-36H2,1-10H3,(H6,73,74,75,76,77,78,79,80,81,82,83,84,85,86);/q;+2/p-2/b59-51-,59-52-,60-53-,60-54-,63-55+,63-57+,64-56+,64-58+;/t43-,44+,45-,46+
• InChIKey: CHDVEGYCWCGSBS-YOSXVORWSA-L
• XLogP: 14.92
• TPSA: 204.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1200.32
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (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+)?

The IUPAC name of (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) is (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+).

What is the SMILES notation for (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+)?

The canonical SMILES for (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+) is CC(=O)c1ccc(-c2c3nc(c(-c4c(NC(=O)[C@H]5CC5(C)C)cccc4NC(=O)[C@@H]4CC4(C)C)c4ccc([n-]4)c(-c4ccc(C(C)=O)cc4)c4nc(c(-c5c(NC(=O)[C@H]6CC6(C)C)cccc5NC(=O)[C@@H]5CC5(C)C)c5ccc2[n-]5)C=C4)C=C3)cc1.[Co+2].

What is the InChIKey of (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+)?

The InChIKey is CHDVEGYCWCGSBS-YOSXVORWSA-L. The full InChI is InChI=1S/C72H70N8O6.Co/c1-37(81)39-17-21-41(22-18-39)59-51-25-29-55(73-51)63(61-47(77-65(83)43-33-69(43,3)4)13-11-14-48(61)78-66(84)44-34-70(44,5)6)57-31-27-53(75-57)60(42-23-19-40(20-24-42)38(2)82)54-28-32-58(76-54)64(56-30-26-52(59)74-56)62-49(79-67(85)45-35-71(45,7)8)15-12-16-50(62)80-68(86)46-36-72(46,9)10;/h11-32,43-46H,33-36H2,1-10H3,(H6,73,74,75,76,77,78,79,80,81,82,83,84,85,86);/q;+2/p-2/b59-51-,59-52-,60-53-,60-54-,63-55+,63-57+,64-56+,64-58+;/t43-,44+,45-,46+;.

What are the key properties of (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+)?

(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+) has a molecular weight of 1200.32 g/mol, XLogP of 14.92, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (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+) is sourced from PubChem (CID 59773182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).