cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)

C56H40CoN8O2+2 — CID 139212396

IUPACcobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)
SMILESO=CNc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.O=CNc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.[Co+2]
InChIInChI=1S/2C28H20N4O.Co/c2*33-19-31-24-13-11-21(12-14-24)20-7-9-22(10-8-20)23-17-27(25-5-1-3-15-29-25)32-28(18-23)26-6-2-4-16-30-26;/h2*1-19H,(H,31,33);/q;;+2
InChIKeyJOHMGDXFEAACSN-UHFFFAOYSA-N
MW915.92 g/mol
LogP12.21
Rot. Bonds12

About cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)

cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide) (PubChem CID 139212396) has the molecular formula C56H40CoN8O2+2 and a molecular weight of 915.92 g/mol. Its IUPAC name is cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide).

Molecular Properties

Compound Namecobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)
PubChem CID139212396
Molecular FormulaC56H40CoN8O2+2
Molecular Weight915.92 g/mol
Exact Mass915.26
IUPAC Namecobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)
SMILESO=CNc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.O=CNc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.[Co+2]
InChIInChI=1S/2C28H20N4O.Co/c2*33-19-31-24-13-11-21(12-14-24)20-7-9-22(10-8-20)23-17-27(25-5-1-3-15-29-25)32-28(18-23)26-6-2-4-16-30-26;/h2*1-19H,(H,31,33);/q;;+2
InChIKeyJOHMGDXFEAACSN-UHFFFAOYSA-N
XLogP12.21
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.92
LogP ≤ 512.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-[2-[4-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetyl]amino]phenyl]ethylamino]-2-oxoethyl]acetamide;hydrochloride
CID 155546976
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-4-pyridinyl]methanamine
CID 155519564
N,N-bis(pyridin-2-ylmethyl)-1-[4-[3-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]phenyl]methanamine
CID 155545664
N,N-bis(pyridin-2-ylmethyl)-1-[6-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]-3-pyridinyl]methanamine
CID 155546551
N,N-bis(pyridin-2-ylmethyl)-1-[2-[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-4-pyridinyl]methanamine
CID 155568146
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
(1S,2S)-1-N-[[8-[[[(1S,2S)-2-[bis(pyridin-2-ylmethyl)amino]cyclohexyl]amino]methyl]anthracen-1-yl]methyl]-2-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 101496685
(1R,2R)-1-N-[[8-[[[(1R,2R)-2-[bis(pyridin-2-ylmethyl)amino]cyclohexyl]amino]methyl]anthracen-1-yl]methyl]-2-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 162651592
1-[4-[4-[[bis(2-pyridylmethyl)amino]methyl]phenyl]phenyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073097
N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 139170858
2-amino-N-[4-[1-[[4-[tris[4-[[4-[4-[(2-aminoacetyl)amino]phenyl]pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]phenyl]acetamide tetrachloride
CID 177658622
4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-N,N-diphenylaniline
CID 11827782

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)?
The IUPAC name of cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide) (CID 139212396) is cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide).
What is the SMILES notation for cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)?
The canonical SMILES for cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide) is O=CNc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.O=CNc1ccc(-c2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)cc1.[Co+2].
What is the InChIKey of cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)?
The InChIKey is JOHMGDXFEAACSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H20N4O.Co/c2*33-19-31-24-13-11-21(12-14-24)20-7-9-22(10-8-20)23-17-27(25-5-1-3-15-29-25)32-28(18-23)26-6-2-4-16-30-26;/h2*1-19H,(H,31,33);/q;;+2.
What are the key properties of cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide)?
cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide) has a molecular weight of 915.92 g/mol, XLogP of 12.21, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]formamide) is sourced from PubChem (CID 139212396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).