6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride

C45H52Cl2N4O — CID 171705488

About 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride

6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride (PubChem CID 171705488) has the molecular formula C45H52Cl2N4O and a molecular weight of 735.84 g/mol. Its IUPAC name is 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride.

Molecular Properties

• Compound Name: 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride
• PubChem CID: 171705488
• Molecular Formula: C45H52Cl2N4O
• Molecular Weight: 735.84 g/mol
• Exact Mass: 734.35
• IUPAC Name: 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride
• SMILES: C[N+]1=C(/C=C\C2=C/C(=C/C=C3/N(CCCCCC(=O)NN)c4ccc5ccccc5c4C3(C)C)CCC2)C(C)(C)c2c1ccc1ccccc21.Cl.[Cl-]
• InChI: InChI=1S/C45H50N4O.2ClH/c1-44(2)39(48(5)37-25-23-33-16-8-10-18-35(33)42(37)44)27-21-31-14-13-15-32(30-31)22-28-40-45(3,4)43-36-19-11-9-17-34(36)24-26-38(43)49(40)29-12-6-7-20-41(50)47-46;;/h8-11,16-19,21-28,30H,6-7,12-15,20,29,46H2,1-5H3;2*1H
• InChIKey: ZOOGOIXNYBHUPU-UHFFFAOYSA-N
• XLogP: 7.25
• TPSA: 61.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.84
LogP ≤ 5	7.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride?

The IUPAC name of 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride (CID 171705488) is 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride.

What is the SMILES notation for 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride?

The canonical SMILES for 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride is C[N+]1=C(/C=C\C2=C/C(=C/C=C3/N(CCCCCC(=O)NN)c4ccc5ccccc5c4C3(C)C)CCC2)C(C)(C)c2c1ccc1ccccc21.Cl.[Cl-].

What is the InChIKey of 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride?

The InChIKey is ZOOGOIXNYBHUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H50N4O.2ClH/c1-44(2)39(48(5)37-25-23-33-16-8-10-18-35(33)42(37)44)27-21-31-14-13-15-32(30-31)22-28-40-45(3,4)43-36-19-11-9-17-34(36)24-26-38(43)49(40)29-12-6-7-20-41(50)47-46;;/h8-11,16-19,21-28,30H,6-7,12-15,20,29,46H2,1-5H3;2*1H.

What are the key properties of 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride?

6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride has a molecular weight of 735.84 g/mol, XLogP of 7.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2E)-1,1-dimethyl-2-[(2E)-2-[3-[(Z)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]benzo[e]indol-3-yl]hexanehydrazide;chloride;hydrochloride is sourced from PubChem (CID 171705488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).