tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium

C272H227N36O9Ru6S3-3 — CID 157464114

About tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium

tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium (PubChem CID 157464114) has the molecular formula C272H227N36O9Ru6S3-3 and a molecular weight of 4846.67 g/mol. Its IUPAC name is tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium.

Molecular Properties

• Compound Name: tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium
• PubChem CID: 157464114
• Molecular Formula: C272H227N36O9Ru6S3-3
• Molecular Weight: 4846.67 g/mol
• Exact Mass: 4848.19
• IUPAC Name: tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium
• SMILES: C=C/C(=C\C)c1ccnc2c1ccc1c(-c3ccc(C)cc3)ccnc12.C=C/C(=C\C)c1ccnc2c1ccc1c(-c3ccccc3)ccnc12.C=C/N=C(\C)c1ccccn1.C=C/N=C(\C)c1ccccn1.C=C/N=C(\C)c1ccccn1.CC.CC.CS(=O)(=O)[O-].CS(=O)(=O)[O-].Cc1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.Cc1ccnc(-c2cc(Cc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.[Ru].[Ru].[Ru].[Ru].[Ru].[Ru].c1ccc(-c2cc(Cc3ccnc(-c4ccccn4)c3)ccn2)nc1.c1ccc(-c2cc(Cc3ccnc(-c4ccccn4)c3)ccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/C25H18N2O3S.3C24H16N2.C24H20N2.C23H20N4.C23H18N2.2C21H16N4.3C10H8N2.3C9H10N2.2C2H6.2CH4O3S.6Ru/c1-16-2-4-17(5-3-16)20-12-14-26-24-22(20)10-11-23-21(13-15-27-25(23)24)18-6-8-19(9-7-18)31(28,29)30;3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-4-17(5-2)19-12-14-25-23-21(19)10-11-22-20(13-15-26-24(22)23)18-8-6-16(3)7-9-18;1-16-3-7-24-20(11-16)22-14-18(5-9-26-22)13-19-6-10-27-23(15-19)21-12-17(2)4-8-25-21;1-3-16(4-2)18-12-14-24-22-20(18)10-11-21-19(13-15-25-23(21)22)17-8-6-5-7-9-17;2*1-3-9-22-18(5-1)20-14-16(7-11-24-20)13-17-8-12-25-21(15-17)19-6-2-4-10-23-19;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-3-10-8(2)9-6-4-5-7-11-9;2*1-2;2*1-5(2,3)4;;;;;;/h2-15H,1H3,(H,28,29,30);3*1-16H;4-15H,1H2,2-3H3;3-12,14-15H,13H2,1-2H3;3-15H,1H2,2H3;2*1-12,14-15H,13H2;3*1-8H;3*3-7H,1H2,2H3;2*1-2H3;2*1H3,(H,2,3,4);;;;;;/p-3/b;;;;17-5+;;16-4+;;;;;;3*10-8+
• InChIKey: BUGRNPUHJLAAEL-NSZQMIIKSA-K
• XLogP: 62.15
• TPSA: 634.05 Ų
• H-Bond Acceptors: 45
• Rotatable Bonds: 36
• Heavy Atoms: 326
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4846.67
LogP ≤ 5	62.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium?

The IUPAC name of tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium (CID 157464114) is tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium.

What is the SMILES notation for tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium?

The canonical SMILES for tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium is C=C/C(=C\C)c1ccnc2c1ccc1c(-c3ccc(C)cc3)ccnc12.C=C/C(=C\C)c1ccnc2c1ccc1c(-c3ccccc3)ccnc12.C=C/N=C(\C)c1ccccn1.C=C/N=C(\C)c1ccccn1.C=C/N=C(\C)c1ccccn1.CC.CC.CS(=O)(=O)[O-].CS(=O)(=O)[O-].Cc1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1.Cc1ccnc(-c2cc(Cc3ccnc(-c4cc(C)ccn4)c3)ccn2)c1.[Ru].[Ru].[Ru].[Ru].[Ru].[Ru].c1ccc(-c2cc(Cc3ccnc(-c4ccccn4)c3)ccn2)nc1.c1ccc(-c2cc(Cc3ccnc(-c4ccccn4)c3)ccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium?

The InChIKey is BUGRNPUHJLAAEL-NSZQMIIKSA-K. The full InChI is InChI=1S/C25H18N2O3S.3C24H16N2.C24H20N2.C23H20N4.C23H18N2.2C21H16N4.3C10H8N2.3C9H10N2.2C2H6.2CH4O3S.6Ru/c1-16-2-4-17(5-3-16)20-12-14-26-24-22(20)10-11-23-21(13-15-27-25(23)24)18-6-8-19(9-7-18)31(28,29)30;3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-4-17(5-2)19-12-14-25-23-21(19)10-11-22-20(13-15-26-24(22)23)18-8-6-16(3)7-9-18;1-16-3-7-24-20(11-16)22-14-18(5-9-26-22)13-19-6-10-27-23(15-19)21-12-17(2)4-8-25-21;1-3-16(4-2)18-12-14-24-22-20(18)10-11-21-19(13-15-25-23(21)22)17-8-6-5-7-9-17;2*1-3-9-22-18(5-1)20-14-16(7-11-24-20)13-17-8-12-25-21(15-17)19-6-2-4-10-23-19;3*1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-3-10-8(2)9-6-4-5-7-11-9;2*1-2;2*1-5(2,3)4;;;;;;/h2-15H,1H3,(H,28,29,30);3*1-16H;4-15H,1H2,2-3H3;3-12,14-15H,13H2,1-2H3;3-15H,1H2,2H3;2*1-12,14-15H,13H2;3*1-8H;3*3-7H,1H2,2H3;2*1-2H3;2*1H3,(H,2,3,4);;;;;;/p-3/b;;;;17-5+;;16-4+;;;;;;3*10-8+;;;;;;;;;;.

What are the key properties of tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium?

tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium has a molecular weight of 4846.67 g/mol, XLogP of 62.15, 36 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4,7-diphenyl-1,10-phenanthroline);ethane;tris(N-ethenyl-1-pyridin-2-ylethanimine);methanesulfonate;4-(4-methylphenyl)-7-[(3E)-penta-1,3-dien-3-yl]-1,10-phenanthroline;4-[7-(4-methylphenyl)-1,10-phenanthrolin-4-yl]benzenesulfonate;2-(4-methyl-2-pyridinyl)-4-[[2-(4-methyl-2-pyridinyl)-4-pyridinyl]methyl]pyridine;4-[(3E)-penta-1,3-dien-3-yl]-7-phenyl-1,10-phenanthroline;tris(2-pyridin-2-ylpyridine);bis(2-pyridin-2-yl-4-[(2-pyridin-2-yl-4-pyridinyl)methyl]pyridine);ruthenium is sourced from PubChem (CID 157464114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).