chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)

C52H33Br8Cl6CoN6- — CID 139051571

About chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)

chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine) (PubChem CID 139051571) has the molecular formula C52H33Br8Cl6CoN6- and a molecular weight of 1652.76 g/mol. Its IUPAC name is chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine).

Molecular Properties

• Compound Name: chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)
• PubChem CID: 139051571
• Molecular Formula: C52H33Br8Cl6CoN6-
• Molecular Weight: 1652.76 g/mol
• Exact Mass: 1641.37
• IUPAC Name: chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)
• SMILES: Cc1ccc([C+]2c3[n-]c(c(Br)c3Br)-c3[n-]c(c(Br)c3Br)[C+](c3ccc(C)cc3)c3[n-]c(c(Br)c3Br)[C+](c3ccc(C)cc3)c3[n-]c2c(Br)c3Br)cc1.ClC(Cl)Cl.ClC(Cl)Cl.[Co].c1ccncc1.c1ccncc1
• InChI: InChI=1S/C40H21Br8N4.2C5H5N.2CHCl3.Co/c1-16-4-10-19(11-5-16)22-33-25(41)27(43)35(49-33)23(20-12-6-17(2)7-13-20)37-29(45)31(47)39(51-37)40-32(48)30(46)38(52-40)24(21-14-8-18(3)9-15-21)36-28(44)26(42)34(22)50-36;2*1-2-4-6-5-3-1;2*2-1(3)4;/h4-15H,1-3H3;2*1-5H;2*1H;/q-1
• InChIKey: DKOQJNDJWRSFPA-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 82.18 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1652.76
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)?

The IUPAC name of chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine) (CID 139051571) is chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine).

What is the SMILES notation for chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)?

The canonical SMILES for chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine) is Cc1ccc([C+]2c3[n-]c(c(Br)c3Br)-c3[n-]c(c(Br)c3Br)[C+](c3ccc(C)cc3)c3[n-]c(c(Br)c3Br)[C+](c3ccc(C)cc3)c3[n-]c2c(Br)c3Br)cc1.ClC(Cl)Cl.ClC(Cl)Cl.[Co].c1ccncc1.c1ccncc1.

What is the InChIKey of chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)?

The InChIKey is DKOQJNDJWRSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H21Br8N4.2C5H5N.2CHCl3.Co/c1-16-4-10-19(11-5-16)22-33-25(41)27(43)35(49-33)23(20-12-6-17(2)7-13-20)37-29(45)31(47)39(51-37)40-32(48)30(46)38(52-40)24(21-14-8-18(3)9-15-21)36-28(44)26(42)34(22)50-36;2*1-2-4-6-5-3-1;2*2-1(3)4;/h4-15H,1-3H3;2*1-5H;2*1H;/q-1;;;;;.

What are the key properties of chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine)?

chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine) has a molecular weight of 1652.76 g/mol, XLogP of 19.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;cobalt;2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-methylphenyl)corrin-5,10,15-triylium-21,22,23,24-tetraide;bis(pyridine) is sourced from PubChem (CID 139051571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).