(E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium

C42H38N8Ru — CID 165157995

About (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium

(E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium (PubChem CID 165157995) has the molecular formula C42H38N8Ru and a molecular weight of 755.89 g/mol. Its IUPAC name is (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium.

Molecular Properties

• Compound Name: (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium
• PubChem CID: 165157995
• Molecular Formula: C42H38N8Ru
• Molecular Weight: 755.89 g/mol
• Exact Mass: 756.23
• IUPAC Name: (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium
• SMILES: CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)ccn2)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C18H22N4.2C12H8N2.Ru/c1-21(2)11-7-15-5-9-19-17(13-15)18-14-16(6-10-20-18)8-12-22(3)4;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h5-14H,1-4H3;2*1-8H;/b11-7+,12-8+
• InChIKey: SDKVJEILCJDLGK-ASNJXXDOSA-N
• XLogP: 8.77
• TPSA: 83.82 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.89
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium?

The IUPAC name of (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium (CID 165157995) is (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium.

What is the SMILES notation for (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium?

The canonical SMILES for (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium is CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)ccn2)c1.[Ru].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium?

The InChIKey is SDKVJEILCJDLGK-ASNJXXDOSA-N. The full InChI is InChI=1S/C18H22N4.2C12H8N2.Ru/c1-21(2)11-7-15-5-9-19-17(13-15)18-14-16(6-10-20-18)8-12-22(3)4;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h5-14H,1-4H3;2*1-8H;/b11-7+,12-8+;;;.

What are the key properties of (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium?

(E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium has a molecular weight of 755.89 g/mol, XLogP of 8.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-[2-[4-[(E)-2-(dimethylamino)ethenyl]-2-pyridinyl]-4-pyridinyl]-N,N-dimethylethenamine;bis(1,10-phenanthroline);ruthenium is sourced from PubChem (CID 165157995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).