5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium

C129H153N27O14RuS — CID 58133353

About 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium

5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium (PubChem CID 58133353) has the molecular formula C129H153N27O14RuS and a molecular weight of 2438.95 g/mol. Its IUPAC name is 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium.

Molecular Properties

• Compound Name: 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium
• PubChem CID: 58133353
• Molecular Formula: C129H153N27O14RuS
• Molecular Weight: 2438.95 g/mol
• Exact Mass: 2438.09
• IUPAC Name: 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium
• SMILES: CSCCC(CC(=O)C(CC(C)C)NC(=O)C(CCCCN)CC(=O)C(CCC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(=O)CCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)C(C)C)C(=O)N1CCCC1C(N)=O.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
• InChI: InChI=1S/C81H121N23O14S.2C24H16N2.Ru/c1-45(2)41-60(63(107)43-50(31-40-119-5)79(118)104-39-14-21-61(104)70(86)110)101-73(112)49(15-6-8-32-82)42-62(106)55(26-28-64(84)108)96-75(114)57(19-12-36-94-80(87)88)99-76(115)56(18-7-9-33-83)98-77(116)58(20-13-37-95-81(89)90)100-78(117)59(27-29-65(85)109)97-74(113)54(46(3)4)44-51(105)30-38-93-72(111)48-24-22-47(23-25-48)71-102-68-52-16-10-34-91-66(52)67-53(69(68)103-71)17-11-35-92-67;2*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;/h10-11,16-17,22-25,34-35,45-46,49-50,54-61H,6-9,12-15,18-21,26-33,36-44,82-83H2,1-5H3,(H2,84,108)(H2,85,109)(H2,86,110)(H,93,111)(H,96,114)(H,97,113)(H,98,116)(H,99,115)(H,100,117)(H,101,112)(H,102,103)(H4,87,88,94)(H4,89,90,95);2*1-16H
• InChIKey: UKKVMTUPEDNZKM-UHFFFAOYSA-N
• XLogP: 13.14
• TPSA: 691.35 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 26
• Rotatable Bonds: 59
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2438.95
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium?

The IUPAC name of 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium (CID 58133353) is 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium.

What is the SMILES notation for 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium?

The canonical SMILES for 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium is CSCCC(CC(=O)C(CC(C)C)NC(=O)C(CCCCN)CC(=O)C(CCC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(N)=O)NC(=O)C(CC(=O)CCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)C(C)C)C(=O)N1CCCC1C(N)=O.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.

What is the InChIKey of 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium?

The InChIKey is UKKVMTUPEDNZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H121N23O14S.2C24H16N2.Ru/c1-45(2)41-60(63(107)43-50(31-40-119-5)79(118)104-39-14-21-61(104)70(86)110)101-73(112)49(15-6-8-32-82)42-62(106)55(26-28-64(84)108)96-75(114)57(19-12-36-94-80(87)88)99-76(115)56(18-7-9-33-83)98-77(116)58(20-13-37-95-81(89)90)100-78(117)59(27-29-65(85)109)97-74(113)54(46(3)4)44-51(105)30-38-93-72(111)48-24-22-47(23-25-48)71-102-68-52-16-10-34-91-66(52)67-53(69(68)103-71)17-11-35-92-67;2*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;/h10-11,16-17,22-25,34-35,45-46,49-50,54-61H,6-9,12-15,18-21,26-33,36-44,82-83H2,1-5H3,(H2,84,108)(H2,85,109)(H2,86,110)(H,93,111)(H,96,114)(H,97,113)(H,98,116)(H,99,115)(H,100,117)(H,101,112)(H,102,103)(H4,87,88,94)(H4,89,90,95);2*1-16H;.

What are the key properties of 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium?

5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium has a molecular weight of 2438.95 g/mol, XLogP of 13.14, 59 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[[6-amino-2-[[2-[[5-amino-2-[[6-[[4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoyl]amino]-4-oxo-2-propan-2-ylhexanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2-(4-aminobutyl)-N-[7-(2-carbamoylpyrrolidine-1-carbonyl)-2-methyl-9-methylsulfanyl-5-oxononan-4-yl]-4-oxooctanediamide;bis(4,7-diphenyl-1,10-phenanthroline);ruthenium is sourced from PubChem (CID 58133353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).