dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol

C41H38MoN2O4 — CID 20665237

IUPACdioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
SMILESCCCc1ccccc1C(O)(c1ccccc1)c1ccccn1.O=[Mo]=O.OC1(c2ccccn2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H21NO.C20H17NO.Mo.2O/c1-2-10-17-11-6-7-14-19(17)21(23,18-12-4-3-5-13-18)20-15-8-9-16-22-20;22-20(19-11-5-6-14-21-19)17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20;;;/h3-9,11-16,23H,2,10H2,1H3;1-11,14,22H,12-13H2;;;
InChIKeyVZXMKUZEJQVEFZ-UHFFFAOYSA-N
MW718.71 g/mol
LogP7.54
Rot. Bonds6

About dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol

dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol (PubChem CID 20665237) has the molecular formula C41H38MoN2O4 and a molecular weight of 718.71 g/mol. Its IUPAC name is dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.

Molecular Properties

Compound Namedioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
PubChem CID20665237
Molecular FormulaC41H38MoN2O4
Molecular Weight718.71 g/mol
Exact Mass720.19
IUPAC Namedioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
SMILESCCCc1ccccc1C(O)(c1ccccc1)c1ccccn1.O=[Mo]=O.OC1(c2ccccn2)c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H21NO.C20H17NO.Mo.2O/c1-2-10-17-11-6-7-14-19(17)21(23,18-12-4-3-5-13-18)20-15-8-9-16-22-20;22-20(19-11-5-6-14-21-19)17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20;;;/h3-9,11-16,23H,2,10H2,1H3;1-11,14,22H,12-13H2;;;
InChIKeyVZXMKUZEJQVEFZ-UHFFFAOYSA-N
XLogP7.54
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.71
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The IUPAC name of dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol (CID 20665237) is dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol.
What is the SMILES notation for dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The canonical SMILES for dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol is CCCc1ccccc1C(O)(c1ccccc1)c1ccccn1.O=[Mo]=O.OC1(c2ccccn2)c2ccccc2CCc2ccccc21.
What is the InChIKey of dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
The InChIKey is VZXMKUZEJQVEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO.C20H17NO.Mo.2O/c1-2-10-17-11-6-7-14-19(17)21(23,18-12-4-3-5-13-18)20-15-8-9-16-22-20;22-20(19-11-5-6-14-21-19)17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20;;;/h3-9,11-16,23H,2,10H2,1H3;1-11,14,22H,12-13H2;;;.
What are the key properties of dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol?
dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol has a molecular weight of 718.71 g/mol, XLogP of 7.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomolybdenum;phenyl-(2-propylphenyl)-pyridin-2-ylmethanol;2-pyridin-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol is sourced from PubChem (CID 20665237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).