1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate

C74H62Cl2CoN8O10 — CID 139130518

IUPAC1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate
SMILESCO.CO.Nc1ccc2ccccc2c1-c1c(/N=C/c2ccccn2)ccc2ccccc12.Nc1ccc2ccccc2c1-c1c(/N=C/c2ccccn2)ccc2ccccc12.Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C26H19N3.C20H16N2.2CH4O.2ClHO4.Co/c2*27-23-14-12-18-7-1-3-10-21(18)25(23)26-22-11-4-2-8-19(22)13-15-24(26)29-17-20-9-5-6-16-28-20;21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-2;2*2-1(3,4)5;/h2*1-17H,27H2;1-12H,21-22H2;2*2H,1H3;2*(H,2,3,4,5);/q;;;;;;;+2/p-2/b2*29-17+;;;;;;
InChIKeySFGLRGRVVNAKED-ZGISMWFWSA-L
MW1353.19 g/mol
LogP7.30
Rot. Bonds7

About 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate

1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate (PubChem CID 139130518) has the molecular formula C74H62Cl2CoN8O10 and a molecular weight of 1353.19 g/mol. Its IUPAC name is 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate.

Molecular Properties

Compound Name1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate
PubChem CID139130518
Molecular FormulaC74H62Cl2CoN8O10
Molecular Weight1353.19 g/mol
Exact Mass1351.33
IUPAC Name1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate
SMILESCO.CO.Nc1ccc2ccccc2c1-c1c(/N=C/c2ccccn2)ccc2ccccc12.Nc1ccc2ccccc2c1-c1c(/N=C/c2ccccn2)ccc2ccccc12.Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2C26H19N3.C20H16N2.2CH4O.2ClHO4.Co/c2*27-23-14-12-18-7-1-3-10-21(18)25(23)26-22-11-4-2-8-19(22)13-15-24(26)29-17-20-9-5-6-16-28-20;21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-2;2*2-1(3,4)5;/h2*1-17H,27H2;1-12H,21-22H2;2*2H,1H3;2*(H,2,3,4,5);/q;;;;;;;+2/p-2/b2*29-17+;;;;;;
InChIKeySFGLRGRVVNAKED-ZGISMWFWSA-L
XLogP7.30
TPSA379.52 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001353.19
LogP ≤ 57.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate?
The IUPAC name of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate (CID 139130518) is 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate.
What is the SMILES notation for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate?
The canonical SMILES for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate is CO.CO.Nc1ccc2ccccc2c1-c1c(/N=C/c2ccccn2)ccc2ccccc12.Nc1ccc2ccccc2c1-c1c(/N=C/c2ccccn2)ccc2ccccc12.Nc1ccc2ccccc2c1-c1c(N)ccc2ccccc12.[Co+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate?
The InChIKey is SFGLRGRVVNAKED-ZGISMWFWSA-L. The full InChI is InChI=1S/2C26H19N3.C20H16N2.2CH4O.2ClHO4.Co/c2*27-23-14-12-18-7-1-3-10-21(18)25(23)26-22-11-4-2-8-19(22)13-15-24(26)29-17-20-9-5-6-16-28-20;21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-2;2*2-1(3,4)5;/h2*1-17H,27H2;1-12H,21-22H2;2*2H,1H3;2*(H,2,3,4,5);/q;;;;;;;+2/p-2/b2*29-17+;;;;;;.
What are the key properties of 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate?
1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate has a molecular weight of 1353.19 g/mol, XLogP of 7.30, 7 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminonaphthalen-1-yl)naphthalen-2-amine;cobalt(2+);methanol;bis(1-[2-(pyridin-2-ylmethylideneamino)naphthalen-1-yl]naphthalen-2-amine);diperchlorate is sourced from PubChem (CID 139130518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).