methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)

C38H30N4O8V2-10 — CID 139071859

IUPACmethanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)
SMILESC[O-].C[O-].[O-2].[O-2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[V].[V]
InChIInChI=1S/4C9H7NO.2CH3O.2O.2V/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2;;;;/h4*1-6,11H;2*1H3;;;;/q;;;;2*-1;2*-2;;/p-4
InChIKeyFYHHHWJCOFXCMQ-UHFFFAOYSA-J
MW772.57 g/mol
LogP2.94
Rot. Bonds

About methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)

methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium) (PubChem CID 139071859) has the molecular formula C38H30N4O8V2-10 and a molecular weight of 772.57 g/mol. Its IUPAC name is methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium).

Molecular Properties

Compound Namemethanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)
PubChem CID139071859
Molecular FormulaC38H30N4O8V2-10
Molecular Weight772.57 g/mol
Exact Mass772.10
IUPAC Namemethanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)
SMILESC[O-].C[O-].[O-2].[O-2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[V].[V]
InChIInChI=1S/4C9H7NO.2CH3O.2O.2V/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2;;;;/h4*1-6,11H;2*1H3;;;;/q;;;;2*-1;2*-2;;/p-4
InChIKeyFYHHHWJCOFXCMQ-UHFFFAOYSA-J
XLogP2.94
TPSA246.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms52
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500772.57
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)?
The IUPAC name of methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium) (CID 139071859) is methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium).
What is the SMILES notation for methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)?
The canonical SMILES for methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium) is C[O-].C[O-].[O-2].[O-2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[V].[V].
What is the InChIKey of methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)?
The InChIKey is FYHHHWJCOFXCMQ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H7NO.2CH3O.2O.2V/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-2;;;;/h4*1-6,11H;2*1H3;;;;/q;;;;2*-1;2*-2;;/p-4.
What are the key properties of methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium)?
methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium) has a molecular weight of 772.57 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;bis(oxygen(2-));tetrakis(quinolin-8-olate);bis(vanadium) is sourced from PubChem (CID 139071859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).