cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide

C39H42CoN4 — CID 139115760

IUPACcobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide
SMILESCc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[Co+2].c1ccncc1.c1ccncc1
InChIInChI=1S/C29H32N2.2C5H5N.Co/c1-17-13-19(3)27(20(4)14-17)23-9-11-25(30-23)29(7,8)26-12-10-24(31-26)28-21(5)15-18(2)16-22(28)6;2*1-2-4-6-5-3-1;/h9-16H,1-8H3;2*1-5H;/q-2;;;+2
InChIKeyBXHXDPFIEGBKHS-UHFFFAOYSA-N
MW625.73 g/mol
LogP9.27
Rot. Bonds4

About cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide

cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide (PubChem CID 139115760) has the molecular formula C39H42CoN4 and a molecular weight of 625.73 g/mol. Its IUPAC name is cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide.

Molecular Properties

Compound Namecobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide
PubChem CID139115760
Molecular FormulaC39H42CoN4
Molecular Weight625.73 g/mol
Exact Mass625.27
IUPAC Namecobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide
SMILESCc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[Co+2].c1ccncc1.c1ccncc1
InChIInChI=1S/C29H32N2.2C5H5N.Co/c1-17-13-19(3)27(20(4)14-17)23-9-11-25(30-23)29(7,8)26-12-10-24(31-26)28-21(5)15-18(2)16-22(28)6;2*1-2-4-6-5-3-1;/h9-16H,1-8H3;2*1-5H;/q-2;;;+2
InChIKeyBXHXDPFIEGBKHS-UHFFFAOYSA-N
XLogP9.27
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide?
The IUPAC name of cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide (CID 139115760) is cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide.
What is the SMILES notation for cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide?
The canonical SMILES for cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide is Cc1cc(C)c(-c2ccc(C(C)(C)c3ccc(-c4c(C)cc(C)cc4C)[n-]3)[n-]2)c(C)c1.[Co+2].c1ccncc1.c1ccncc1.
What is the InChIKey of cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide?
The InChIKey is BXHXDPFIEGBKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2.2C5H5N.Co/c1-17-13-19(3)27(20(4)14-17)23-9-11-25(30-23)29(7,8)26-12-10-24(31-26)28-21(5)15-18(2)16-22(28)6;2*1-2-4-6-5-3-1;/h9-16H,1-8H3;2*1-5H;/q-2;;;+2.
What are the key properties of cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide?
cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide has a molecular weight of 625.73 g/mol, XLogP of 9.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(pyridine);2-(2,4,6-trimethylphenyl)-5-[2-[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]propan-2-yl]pyrrol-1-ide is sourced from PubChem (CID 139115760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).