bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt

C54H46CoN6 — CID 10079223

IUPACbis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt
SMILES[Co].c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1.c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1
InChIInChI=1S/2C27H23N3.Co/c2*1-3-13-25-21(9-1)17-22-10-2-4-14-26(22)27(25)20-30(18-23-11-5-7-15-28-23)19-24-12-6-8-16-29-24;/h2*1-17H,18-20H2;
InChIKeyPSZKPFJLIXHZKF-UHFFFAOYSA-N
MW837.94 g/mol
LogP11.97
Rot. Bonds12

About bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt

bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt (PubChem CID 10079223) has the molecular formula C54H46CoN6 and a molecular weight of 837.94 g/mol. Its IUPAC name is bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt.

Molecular Properties

Compound Namebis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt
PubChem CID10079223
Molecular FormulaC54H46CoN6
Molecular Weight837.94 g/mol
Exact Mass837.31
IUPAC Namebis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt
SMILES[Co].c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1.c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1
InChIInChI=1S/2C27H23N3.Co/c2*1-3-13-25-21(9-1)17-22-10-2-4-14-26(22)27(25)20-30(18-23-11-5-7-15-28-23)19-24-12-6-8-16-29-24;/h2*1-17H,18-20H2;
InChIKeyPSZKPFJLIXHZKF-UHFFFAOYSA-N
XLogP11.97
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.94
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]pyrazin-2-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 102272513
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-(quinolin-3-ylmethyl)methanamine
CID 3700701
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-[3-[[bis[(6-bromo-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 44598640
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597

Frequently Asked Questions

What is the IUPAC name of bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt?
The IUPAC name of bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt (CID 10079223) is bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt.
What is the SMILES notation for bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt?
The canonical SMILES for bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt is [Co].c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1.c1ccc(CN(Cc2ccccn2)Cc2c3ccccc3cc3ccccc23)nc1.
What is the InChIKey of bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt?
The InChIKey is PSZKPFJLIXHZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N3.Co/c2*1-3-13-25-21(9-1)17-22-10-2-4-14-26(22)27(25)20-30(18-23-11-5-7-15-28-23)19-24-12-6-8-16-29-24;/h2*1-17H,18-20H2;.
What are the key properties of bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt?
bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt has a molecular weight of 837.94 g/mol, XLogP of 11.97, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(anthracen-9-ylmethyl)-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine);cobalt is sourced from PubChem (CID 10079223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).