molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone

C24H18MoNO2- — CID 145486743

IUPACmolybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone
SMILESO=[C-]c1ccc(NCc2ccc(Oc3ccccc3)c3ccccc23)cc1.[Mo]
InChIInChI=1S/C24H18NO2.Mo/c26-17-18-10-13-20(14-11-18)25-16-19-12-15-24(23-9-5-4-8-22(19)23)27-21-6-2-1-3-7-21;/h1-15,25H,16H2;/q-1;
InChIKeyIAKIKCDZZXLKRW-UHFFFAOYSA-N
MW448.35 g/mol
LogP5.70
Rot. Bonds6

About molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone

molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone (PubChem CID 145486743) has the molecular formula C24H18MoNO2- and a molecular weight of 448.35 g/mol. Its IUPAC name is molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Namemolybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone
PubChem CID145486743
Molecular FormulaC24H18MoNO2-
Molecular Weight448.35 g/mol
Exact Mass450.04
IUPAC Namemolybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone
SMILESO=[C-]c1ccc(NCc2ccc(Oc3ccccc3)c3ccccc23)cc1.[Mo]
InChIInChI=1S/C24H18NO2.Mo/c26-17-18-10-13-20(14-11-18)25-16-19-12-15-24(23-9-5-4-8-22(19)23)27-21-6-2-1-3-7-21;/h1-15,25H,16H2;/q-1;
InChIKeyIAKIKCDZZXLKRW-UHFFFAOYSA-N
XLogP5.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone?
The IUPAC name of molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone (CID 145486743) is molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone.
What is the SMILES notation for molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone?
The canonical SMILES for molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone is O=[C-]c1ccc(NCc2ccc(Oc3ccccc3)c3ccccc23)cc1.[Mo].
What is the InChIKey of molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone?
The InChIKey is IAKIKCDZZXLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18NO2.Mo/c26-17-18-10-13-20(14-11-18)25-16-19-12-15-24(23-9-5-4-8-22(19)23)27-21-6-2-1-3-7-21;/h1-15,25H,16H2;/q-1;.
What are the key properties of molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone?
molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone has a molecular weight of 448.35 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;[4-[(4-phenoxynaphthalen-1-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 145486743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).