carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide

C38H11CoF15N4-4 — CID 22986605

About carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide

carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide (PubChem CID 22986605) has the molecular formula C38H11CoF15N4-4 and a molecular weight of 867.44 g/mol. Its IUPAC name is carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide.

Molecular Properties

• Compound Name: carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide
• PubChem CID: 22986605
• Molecular Formula: C38H11CoF15N4-4
• Molecular Weight: 867.44 g/mol
• Exact Mass: 867.01
• IUPAC Name: carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide
• SMILES: Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([n-]4)c4ccc([n-]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc2[n-]4)C=C3)c(F)c1F.[CH3-].[Co]
• InChI: InChI=1S/C37H8F15N4.CH3.Co/c38-23-20(24(39)30(45)35(50)29(23)44)17-11-3-1-9(53-11)10-2-4-12(54-10)18(21-25(40)31(46)36(51)32(47)26(21)41)14-6-8-16(56-14)19(15-7-5-13(17)55-15)22-27(42)33(48)37(52)34(49)28(22)43;;/h1-8H;1H3;/q-3;-1;/b10-9-,17-11+,17-13+,18-12+,18-14+,19-15+,19-16+
• InChIKey: IPVGYOJQXMRILI-XDBICYDFSA-N
• XLogP: 11.12
• TPSA: 55.19 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.44
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide?

The IUPAC name of carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide (CID 22986605) is carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide.

What is the SMILES notation for carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide?

The canonical SMILES for carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide is Fc1c(F)c(F)c(-c2c3nc(c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc([n-]4)c4ccc([n-]4)c(-c4c(F)c(F)c(F)c(F)c4F)c4ccc2[n-]4)C=C3)c(F)c1F.[CH3-].[Co].

What is the InChIKey of carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide?

The InChIKey is IPVGYOJQXMRILI-XDBICYDFSA-N. The full InChI is InChI=1S/C37H8F15N4.CH3.Co/c38-23-20(24(39)30(45)35(50)29(23)44)17-11-3-1-9(53-11)10-2-4-12(54-10)18(21-25(40)31(46)36(51)32(47)26(21)41)14-6-8-16(56-14)19(15-7-5-13(17)55-15)22-27(42)33(48)37(52)34(49)28(22)43;;/h1-8H;1H3;/q-3;-1;/b10-9-,17-11+,17-13+,18-12+,18-14+,19-15+,19-16+;;.

What are the key properties of carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide?

carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide has a molecular weight of 867.44 g/mol, XLogP of 11.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;cobalt;5,10,15-tris(2,3,4,5,6-pentafluorophenyl)corrin-21,23,24-triide is sourced from PubChem (CID 22986605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).