molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

C50H28Br4MoN5O3 — CID 139147425

IUPACmolybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
SMILESBrc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc2[n-]3)cc1.O=C([O-])c1ccncc1.[Mo+3].[O-2]
InChIInChI=1S/C44H24Br4N4.C6H5NO2.Mo.O/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;8-6(9)5-1-3-7-4-2-5;;/h1-24H;1-4H,(H,8,9);;/q;;+3;-2/p-1
InChIKeySAADOMSIAGADPQ-UHFFFAOYSA-M
MW1162.36 g/mol
LogP10.28
Rot. Bonds5

About molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (PubChem CID 139147425) has the molecular formula C50H28Br4MoN5O3 and a molecular weight of 1162.36 g/mol. Its IUPAC name is molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

Molecular Properties

Compound Namemolybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
PubChem CID139147425
Molecular FormulaC50H28Br4MoN5O3
Molecular Weight1162.36 g/mol
Exact Mass1159.80
IUPAC Namemolybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
SMILESBrc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc2[n-]3)cc1.O=C([O-])c1ccncc1.[Mo+3].[O-2]
InChIInChI=1S/C44H24Br4N4.C6H5NO2.Mo.O/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;8-6(9)5-1-3-7-4-2-5;;/h1-24H;1-4H,(H,8,9);;/q;;+3;-2/p-1
InChIKeySAADOMSIAGADPQ-UHFFFAOYSA-M
XLogP10.28
TPSA137.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001162.36
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?
The IUPAC name of molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (CID 139147425) is molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.
What is the SMILES notation for molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?
The canonical SMILES for molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is Brc1ccc([C+]2c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc([n-]3)[C+](c3ccc(Br)cc3)c3ccc2[n-]3)cc1.O=C([O-])c1ccncc1.[Mo+3].[O-2].
What is the InChIKey of molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?
The InChIKey is SAADOMSIAGADPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C44H24Br4N4.C6H5NO2.Mo.O/c45-29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(46)12-4-26)37-21-23-39(51-37)44(28-7-15-32(48)16-8-28)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(47)14-6-27;8-6(9)5-1-3-7-4-2-5;;/h1-24H;1-4H,(H,8,9);;/q;;+3;-2/p-1.
What are the key properties of molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?
molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide has a molecular weight of 1162.36 g/mol, XLogP of 10.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum(3+);oxygen(2-);pyridine-4-carboxylate;5,10,15,20-tetrakis(4-bromophenyl)porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is sourced from PubChem (CID 139147425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).