dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)

C36H26MoN2O4 — CID 20665235

IUPACdioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)
SMILESO=[Mo]=O.OC1(c2ccccn2)c2ccccc2-c2ccccc21.OC1(c2ccccn2)c2ccccc2-c2ccccc21
InChIInChI=1S/2C18H13NO.Mo.2O/c2*20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;;;/h2*1-12,20H;;;
InChIKeyXXZQTTIPKFPCNN-UHFFFAOYSA-N
MW646.55 g/mol
LogP6.45
Rot. Bonds2

About dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)

dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol) (PubChem CID 20665235) has the molecular formula C36H26MoN2O4 and a molecular weight of 646.55 g/mol. Its IUPAC name is dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol).

Molecular Properties

Compound Namedioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)
PubChem CID20665235
Molecular FormulaC36H26MoN2O4
Molecular Weight646.55 g/mol
Exact Mass648.09
IUPAC Namedioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)
SMILESO=[Mo]=O.OC1(c2ccccn2)c2ccccc2-c2ccccc21.OC1(c2ccccn2)c2ccccc2-c2ccccc21
InChIInChI=1S/2C18H13NO.Mo.2O/c2*20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;;;/h2*1-12,20H;;;
InChIKeyXXZQTTIPKFPCNN-UHFFFAOYSA-N
XLogP6.45
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.55
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)?
The IUPAC name of dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol) (CID 20665235) is dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol).
What is the SMILES notation for dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)?
The canonical SMILES for dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol) is O=[Mo]=O.OC1(c2ccccn2)c2ccccc2-c2ccccc21.OC1(c2ccccn2)c2ccccc2-c2ccccc21.
What is the InChIKey of dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)?
The InChIKey is XXZQTTIPKFPCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H13NO.Mo.2O/c2*20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;;;/h2*1-12,20H;;;.
What are the key properties of dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol)?
dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol) has a molecular weight of 646.55 g/mol, XLogP of 6.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomolybdenum;bis(9-pyridin-2-ylfluoren-9-ol) is sourced from PubChem (CID 20665235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).