4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt

C44H38BrCl2CoN10O9S2- — CID 158978207

About 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt

4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt (PubChem CID 158978207) has the molecular formula C44H38BrCl2CoN10O9S2- and a molecular weight of 1124.73 g/mol. Its IUPAC name is 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt.

Molecular Properties

• Compound Name: 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt
• PubChem CID: 158978207
• Molecular Formula: C44H38BrCl2CoN10O9S2-
• Molecular Weight: 1124.73 g/mol
• Exact Mass: 1122.02
• IUPAC Name: 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt
• SMILES: C[N+]1=C(/C=C/c2ccc(N3CCOCC3)cc2)C2(CCCCC2)c2cc(Br)ccc21.O=C1C=C(O)C(=NN=c2[n-]cc([N+](=O)[O-])s2)C=C1Cl.O=C1C=C(O)C(=NN=c2[n-]cc([N+](=O)[O-])s2)C=C1Cl.[Co]
• InChI: InChI=1S/C26H30BrN2O.2C9H5ClN4O4S.Co/c1-28-24-11-8-21(27)19-23(24)26(13-3-2-4-14-26)25(28)12-7-20-5-9-22(10-6-20)29-15-17-30-18-16-29;2*10-4-1-5(7(16)2-6(4)15)12-13-9-11-3-8(19-9)14(17)18;/h5-12,19H,2-4,13-18H2,1H3;2*1-3H,(H2,11,13,15,16);/q+1;;;/p-2
• InChIKey: CZLPVDVYCCPQRO-UHFFFAOYSA-L
• XLogP: 7.96
• TPSA: 254.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1124.73
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt?

The IUPAC name of 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt (CID 158978207) is 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt.

What is the SMILES notation for 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt?

The canonical SMILES for 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt is C[N+]1=C(/C=C/c2ccc(N3CCOCC3)cc2)C2(CCCCC2)c2cc(Br)ccc21.O=C1C=C(O)C(=NN=c2[n-]cc([N+](=O)[O-])s2)C=C1Cl.O=C1C=C(O)C(=NN=c2[n-]cc([N+](=O)[O-])s2)C=C1Cl.[Co].

What is the InChIKey of 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt?

The InChIKey is CZLPVDVYCCPQRO-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H30BrN2O.2C9H5ClN4O4S.Co/c1-28-24-11-8-21(27)19-23(24)26(13-3-2-4-14-26)25(28)12-7-20-5-9-22(10-6-20)29-15-17-30-18-16-29;2*10-4-1-5(7(16)2-6(4)15)12-13-9-11-3-8(19-9)14(17)18;/h5-12,19H,2-4,13-18H2,1H3;2*1-3H,(H2,11,13,15,16);/q+1;;;/p-2.

What are the key properties of 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt?

4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt has a molecular weight of 1124.73 g/mol, XLogP of 7.96, 7 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(E)-2-(5'-bromo-1'-methylspiro[cyclohexane-1,3'-indol-1-ium]-2'-yl)ethenyl]phenyl]morpholine;bis(2-chloro-5-hydroxy-4-[(5-nitro-1,3-thiazol-3-id-2-ylidene)hydrazinylidene]cyclohexa-2,5-dien-1-one);cobalt is sourced from PubChem (CID 158978207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).