N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide

C56H84N26O7 — CID 58133347

About N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide

N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide (PubChem CID 58133347) has the molecular formula C56H84N26O7 and a molecular weight of 1233.46 g/mol. Its IUPAC name is N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide
• PubChem CID: 58133347
• Molecular Formula: C56H84N26O7
• Molecular Weight: 1233.46 g/mol
• Exact Mass: 1232.70
• IUPAC Name: N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide
• SMILES: NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1
• InChI: InChI=1S/C56H84N26O7/c57-45(84)35(13-6-26-71-52(58)59)77-49(87)37(15-8-28-73-54(62)63)79-51(89)39(17-10-30-75-56(66)67)80-50(88)38(16-9-29-74-55(64)65)78-48(86)36(14-7-27-72-53(60)61)76-40(83)18-2-1-3-23-70-47(85)32-21-19-31(20-22-32)46-81-43-33-11-4-24-68-41(33)42-34(44(43)82-46)12-5-25-69-42/h4-5,11-12,19-22,24-25,35-39H,1-3,6-10,13-18,23,26-30H2,(H2,57,84)(H,70,85)(H,76,83)(H,77,87)(H,78,86)(H,79,89)(H,80,88)(H,81,82)(H4,58,59,71)(H4,60,61,72)(H4,62,63,73)(H4,64,65,74)(H4,66,67,75)
• InChIKey: PGPXSQAIUJXFTR-UHFFFAOYSA-N
• XLogP: -3.21
• TPSA: 594.15 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 15
• Rotatable Bonds: 38
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1233.46
LogP ≤ 5	-3.21
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	15

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 N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide?

The IUPAC name of N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide (CID 58133347) is N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide.

What is the SMILES notation for N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide?

The canonical SMILES for N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide is NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)CCCCCNC(=O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1.

What is the InChIKey of N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide?

The InChIKey is PGPXSQAIUJXFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H84N26O7/c57-45(84)35(13-6-26-71-52(58)59)77-49(87)37(15-8-28-73-54(62)63)79-51(89)39(17-10-30-75-56(66)67)80-50(88)38(16-9-29-74-55(64)65)78-48(86)36(14-7-27-72-53(60)61)76-40(83)18-2-1-3-23-70-47(85)32-21-19-31(20-22-32)46-81-43-33-11-4-24-68-41(33)42-34(44(43)82-46)12-5-25-69-42/h4-5,11-12,19-22,24-25,35-39H,1-3,6-10,13-18,23,26-30H2,(H2,57,84)(H,70,85)(H,76,83)(H,77,87)(H,78,86)(H,79,89)(H,80,88)(H,81,82)(H4,58,59,71)(H4,60,61,72)(H4,62,63,73)(H4,64,65,74)(H4,66,67,75).

What are the key properties of N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide?

N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide has a molecular weight of 1233.46 g/mol, XLogP of -3.21, 38 rotatable bonds, 18 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[1-[[1-[[1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]-4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzamide is sourced from PubChem (CID 58133347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).