N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate

C79H67F12N9O6P2Ru — CID 139137918

About N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate

N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate (PubChem CID 139137918) has the molecular formula C79H67F12N9O6P2Ru and a molecular weight of 1629.46 g/mol. Its IUPAC name is N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

• Compound Name: N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate
• PubChem CID: 139137918
• Molecular Formula: C79H67F12N9O6P2Ru
• Molecular Weight: 1629.46 g/mol
• Exact Mass: 1629.35
• IUPAC Name: N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate
• SMILES: COc1ccc(N(c2ccc(OC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc(-c4ccc(C)cc4)cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cn4)n3)nc2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2]
• InChI: InChI=1S/C50H43N5O4.C29H24N4O2.2F6P.Ru/c1-34-6-8-35(9-7-34)36-30-49(47-28-18-41(32-51-47)54(37-10-20-43(56-2)21-11-37)38-12-22-44(57-3)23-13-38)53-50(31-36)48-29-19-42(33-52-48)55(39-14-24-45(58-4)25-15-39)40-16-26-46(59-5)27-17-40;1-34-24-13-9-21(10-14-24)33(22-11-15-25(35-2)16-12-22)23-19-28(26-7-3-5-17-30-26)32-29(20-23)27-8-4-6-18-31-27;2*1-7(2,3,4,5)6;/h6-33H,1-5H3;3-20H,1-2H3;;;/q;;2*-1;+2
• InChIKey: KCZOFXWHTDBNEY-UHFFFAOYSA-N
• XLogP: 25.61
• TPSA: 142.44 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1629.46
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate?

The IUPAC name of N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate (CID 139137918) is N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate.

What is the SMILES notation for N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate?

The canonical SMILES for N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate is COc1ccc(N(c2ccc(OC)cc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3cc(-c4ccc(C)cc4)cc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cn4)n3)nc2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ru+2].

What is the InChIKey of N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate?

The InChIKey is KCZOFXWHTDBNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N5O4.C29H24N4O2.2F6P.Ru/c1-34-6-8-35(9-7-34)36-30-49(47-28-18-41(32-51-47)54(37-10-20-43(56-2)21-11-37)38-12-22-44(57-3)23-13-38)53-50(31-36)48-29-19-42(33-52-48)55(39-14-24-45(58-4)25-15-39)40-16-26-46(59-5)27-17-40;1-34-24-13-9-21(10-14-24)33(22-11-15-25(35-2)16-12-22)23-19-28(26-7-3-5-17-30-26)32-29(20-23)27-8-4-6-18-31-27;2*1-7(2,3,4,5)6;/h6-33H,1-5H3;3-20H,1-2H3;;;/q;;2*-1;+2.

What are the key properties of N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate?

N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate has a molecular weight of 1629.46 g/mol, XLogP of 25.61, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis(4-methoxyphenyl)-2,6-dipyridin-2-ylpyridin-4-amine;6-[6-[5-(4-methoxy-N-(4-methoxyphenyl)anilino)-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]-N,N-bis(4-methoxyphenyl)pyridin-3-amine;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139137918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).