benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide

C57H39N5ORu — CID 139129409

About benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide

benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide (PubChem CID 139129409) has the molecular formula C57H39N5ORu and a molecular weight of 911.04 g/mol. Its IUPAC name is benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide.

Molecular Properties

• Compound Name: benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide
• PubChem CID: 139129409
• Molecular Formula: C57H39N5ORu
• Molecular Weight: 911.04 g/mol
• Exact Mass: 911.22
• IUPAC Name: benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide
• SMILES: [N-]=C(c1ccccc1)c1ccccc1.[OH-].[Ru+2].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc2[n-]3)cc1
• InChI: InChI=1S/C44H28N4.C13H10N.H2O.Ru/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1-28H;1-10H;1H2;/q;-1;;+2/p-1
• InChIKey: MRIXAGSPXKBGRX-UHFFFAOYSA-M
• XLogP: 10.82
• TPSA: 108.70 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.04
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide?

The IUPAC name of benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide (CID 139129409) is benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide.

What is the SMILES notation for benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide?

The canonical SMILES for benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide is [N-]=C(c1ccccc1)c1ccccc1.[OH-].[Ru+2].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc2[n-]3)cc1.

What is the InChIKey of benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide?

The InChIKey is MRIXAGSPXKBGRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C44H28N4.C13H10N.H2O.Ru/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1-28H;1-10H;1H2;/q;-1;;+2/p-1.

What are the key properties of benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide?

benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide has a molecular weight of 911.04 g/mol, XLogP of 10.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for benzhydrylideneazanide;ruthenium(2+);5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide;hydroxide is sourced from PubChem (CID 139129409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).