cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium

C41H37CoN10O8S2- — CID 161265929

About cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium

cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium (PubChem CID 161265929) has the molecular formula C41H37CoN10O8S2- and a molecular weight of 920.88 g/mol. Its IUPAC name is cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium.

Molecular Properties

• Compound Name: cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium
• PubChem CID: 161265929
• Molecular Formula: C41H37CoN10O8S2-
• Molecular Weight: 920.88 g/mol
• Exact Mass: 920.16
• IUPAC Name: cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium
• SMILES: C[N+]1=C(/C=C/c2ccc(N3CCCC3)cc2)C(C)(C)c2ccccc21.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.[Co]
• InChI: InChI=1S/C23H27N2.2C9H6N4O4S.Co/c1-23(2)20-8-4-5-9-21(20)24(3)22(23)15-12-18-10-13-19(14-11-18)25-16-6-7-17-25;2*14-5-1-2-6(7(15)3-5)11-12-9-10-4-8(18-9)13(16)17;/h4-5,8-15H,6-7,16-17H2,1-3H3;2*1-4H,(H2,10,12,14,15);/q+1;;;/p-2
• InChIKey: NPPSGZYDEQBQRJ-UHFFFAOYSA-L
• XLogP: 5.91
• TPSA: 244.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	920.88
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium?

The IUPAC name of cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium (CID 161265929) is cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium.

What is the SMILES notation for cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium?

The canonical SMILES for cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium is C[N+]1=C(/C=C/c2ccc(N3CCCC3)cc2)C(C)(C)c2ccccc21.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.O=C1C=CC(=NN=c2[n-]cc([N+](=O)[O-])s2)C(O)=C1.[Co].

What is the InChIKey of cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium?

The InChIKey is NPPSGZYDEQBQRJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H27N2.2C9H6N4O4S.Co/c1-23(2)20-8-4-5-9-21(20)24(3)22(23)15-12-18-10-13-19(14-11-18)25-16-6-7-17-25;2*14-5-1-2-6(7(15)3-5)11-12-9-10-4-8(18-9)13(16)17;/h4-5,8-15H,6-7,16-17H2,1-3H3;2*1-4H,(H2,10,12,14,15);/q+1;;;/p-2.

What are the key properties of cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium?

cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium has a molecular weight of 920.88 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;bis(3-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);1,3,3-trimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]indol-1-ium is sourced from PubChem (CID 161265929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).