cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone

C112H104Co2N26O22+2 — CID 172955624

About cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone

cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone (PubChem CID 172955624) has the molecular formula C112H104Co2N26O22+2 and a molecular weight of 2284.09 g/mol. Its IUPAC name is cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone.

Molecular Properties

• Compound Name: cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone
• PubChem CID: 172955624
• Molecular Formula: C112H104Co2N26O22+2
• Molecular Weight: 2284.09 g/mol
• Exact Mass: 2282.65
• IUPAC Name: cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone
• SMILES: C=CC[N+]1=C(/C=N/N(C)c2ccc(OC)cc2)C(C)(C)c2ccccc21.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.CN(/N=C/C1=[N+](C)c2ccccc2C1(C)C)c1ccccc1C(=O)c1ccccc1.[Co].[Co]
• InChI: InChI=1S/C26H26N3O.C22H26N3O.4C16H13N5O5.2Co/c1-26(2)21-15-9-11-17-23(21)28(3)24(26)18-27-29(4)22-16-10-8-14-20(22)25(30)19-12-6-5-7-13-19;1-6-15-25-20-10-8-7-9-19(20)22(2,3)21(25)16-23-24(4)17-11-13-18(26-5)14-12-17;4*1-3-6-20-15(23)11(8-17)9(2)14(16(20)24)19-18-12-7-10(21(25)26)4-5-13(12)22;;/h5-18H,1-4H3;6-14,16H,1,15H2,2-5H3;4*3-5,7,22,24H,1,6H2,2H3;;/q2*+1;;;;;;/b;;4*19-18-
• InChIKey: BVGYIJUPILLLDH-RSPSRETCSA-N
• XLogP: 21.22
• TPSA: 679.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2284.09
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone?

The IUPAC name of cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone (CID 172955624) is cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone.

What is the SMILES notation for cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone?

The canonical SMILES for cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone is C=CC[N+]1=C(/C=N/N(C)c2ccc(OC)cc2)C(C)(C)c2ccccc21.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.C=CCn1c(O)c(/N=N\c2cc([N+](=O)[O-])ccc2O)c(C)c(C#N)c1=O.CN(/N=C/C1=[N+](C)c2ccccc2C1(C)C)c1ccccc1C(=O)c1ccccc1.[Co].[Co].

What is the InChIKey of cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone?

The InChIKey is BVGYIJUPILLLDH-RSPSRETCSA-N. The full InChI is InChI=1S/C26H26N3O.C22H26N3O.4C16H13N5O5.2Co/c1-26(2)21-15-9-11-17-23(21)28(3)24(26)18-27-29(4)22-16-10-8-14-20(22)25(30)19-12-6-5-7-13-19;1-6-15-25-20-10-8-7-9-19(20)22(2,3)21(25)16-23-24(4)17-11-13-18(26-5)14-12-17;4*1-3-6-20-15(23)11(8-17)9(2)14(16(20)24)19-18-12-7-10(21(25)26)4-5-13(12)22;;/h5-18H,1-4H3;6-14,16H,1,15H2,2-5H3;4*3-5,7,22,24H,1,6H2,2H3;;/q2*+1;;;;;;/b;;4*19-18-;;.

What are the key properties of cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone?

cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone has a molecular weight of 2284.09 g/mol, XLogP of 21.22, 31 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;N-[(E)-(3,3-dimethyl-1-prop-2-enylindol-1-ium-2-yl)methylideneamino]-4-methoxy-N-methylaniline;tetrakis(6-hydroxy-5-[(2-hydroxy-5-nitrophenyl)diazenyl]-4-methyl-2-oxo-1-prop-2-enylpyridine-3-carbonitrile);[2-[methyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]amino]phenyl]-phenylmethanone is sourced from PubChem (CID 172955624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).