bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride

C32H33FN4O6V2 — CID 6849989

About bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride

bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride (PubChem CID 6849989) has the molecular formula C32H33FN4O6V2 and a molecular weight of 690.52 g/mol. Its IUPAC name is bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride.

Molecular Properties

• Compound Name: bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride
• PubChem CID: 6849989
• Molecular Formula: C32H33FN4O6V2
• Molecular Weight: 690.52 g/mol
• Exact Mass: 690.13
• IUPAC Name: bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride
• SMILES: F.O=C1C=CC=CC1=CNCCNC=C1C=CC=CC1=O.O=C1C=CC=CC1=CNCCNC=C1C=CC=CC1=O.O=[V].O=[V]
• InChI: InChI=1S/2C16H16N2O2.FH.2O.2V/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;;;;/h2*1-8,11-12,17-18H,9-10H2;1H
• InChIKey: HPDIGNLULGURGG-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 150.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	690.52
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride?

The IUPAC name of bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride (CID 6849989) is bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride.

What is the SMILES notation for bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride?

The canonical SMILES for bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride is F.O=C1C=CC=CC1=CNCCNC=C1C=CC=CC1=O.O=C1C=CC=CC1=CNCCNC=C1C=CC=CC1=O.O=[V].O=[V].

What is the InChIKey of bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride?

The InChIKey is HPDIGNLULGURGG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H16N2O2.FH.2O.2V/c2*19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;;;;;/h2*1-8,11-12,17-18H,9-10H2;1H;;;;.

What are the key properties of bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride?

bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride has a molecular weight of 690.52 g/mol, XLogP of 2.56, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one);bis(oxovanadium);hydrofluoride is sourced from PubChem (CID 6849989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).