1,7-phenanthroline;vanadium

C12H8N2V — CID 174318955

IUPAC1,7-phenanthroline;vanadium
SMILES[V].c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.V/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;/h1-8H;
InChIKeyKJRMZPGKOKVZAY-UHFFFAOYSA-N
MW231.15 g/mol
LogP2.78
Rot. Bonds

About 1,7-phenanthroline;vanadium

1,7-phenanthroline;vanadium (PubChem CID 174318955) has the molecular formula C12H8N2V and a molecular weight of 231.15 g/mol. Its IUPAC name is 1,7-phenanthroline;vanadium.

Molecular Properties

Compound Name1,7-phenanthroline;vanadium
PubChem CID174318955
Molecular FormulaC12H8N2V
Molecular Weight231.15 g/mol
Exact Mass231.01
IUPAC Name1,7-phenanthroline;vanadium
SMILES[V].c1cnc2c(c1)ccc1ncccc12
InChIInChI=1S/C12H8N2.V/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;/h1-8H;
InChIKeyKJRMZPGKOKVZAY-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 174688507
methanol;1,7-phenanthroline
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CID 174550774
nitric acid;1,7-phenanthroline
CID 175111698
CID 87856781
CID 87856781
benzo[h]quinoline;naphthalene
CID 175017782
tris(1,3-dinaphthalen-1-ylpropane-1,3-dione);europium;1,7-phenanthroline
CID 173066827
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
benzo[g]pteridine;1,7-phenanthroline
CID 69047537
tetrakis(N,N-diethylcarbamodithioate);1,7-phenanthroline;tin(4+)
CID 174667242
pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117
13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
CID 175483832

Frequently Asked Questions

What is the IUPAC name of 1,7-phenanthroline;vanadium?
The IUPAC name of 1,7-phenanthroline;vanadium (CID 174318955) is 1,7-phenanthroline;vanadium.
What is the SMILES notation for 1,7-phenanthroline;vanadium?
The canonical SMILES for 1,7-phenanthroline;vanadium is [V].c1cnc2c(c1)ccc1ncccc12.
What is the InChIKey of 1,7-phenanthroline;vanadium?
The InChIKey is KJRMZPGKOKVZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.V/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;/h1-8H;.
What are the key properties of 1,7-phenanthroline;vanadium?
1,7-phenanthroline;vanadium has a molecular weight of 231.15 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-phenanthroline;vanadium is sourced from PubChem (CID 174318955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).