carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium)

C70H83N7O6Y2-2 — CID 158569248

About carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium)

carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium) (PubChem CID 158569248) has the molecular formula C70H83N7O6Y2-2 and a molecular weight of 1296.29 g/mol. Its IUPAC name is carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium).

Molecular Properties

• Compound Name: carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium)
• PubChem CID: 158569248
• Molecular Formula: C70H83N7O6Y2-2
• Molecular Weight: 1296.29 g/mol
• Exact Mass: 1295.45
• IUPAC Name: carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium)
• SMILES: CCC1(CC)C(=CC=CC=CC=CC2=[N+](CCC(=O)O)c3ccc4cc(C)c[c-]c4c3C2(CC)CC)N(CCC(=O)NC)c2ccc3cc(C)c[c-]c3c21.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN.[CH3-].[Y].[Y]
• InChI: InChI=1S/C48H54N3O3.C21H26N4O3.CH3.2Y/c1-8-47(9-2)41(50(29-27-43(52)49-7)39-25-21-35-31-33(5)19-23-37(35)45(39)47)17-15-13-12-14-16-18-42-48(10-3,11-4)46-38-24-20-34(6)32-36(38)22-26-40(46)51(42)30-28-44(53)54;22-12-6-5-11-19(20(26)25-23)24-21(27)28-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;;;/h12-22,25-26,31-32H,8-11,27-30H2,1-7H3,(H,49,52)(H,53,54);1-4,7-10,18-19H,5-6,11-13,22-23H2,(H,24,27)(H,25,26);1H3;;/q-1;;-1;;/t;19-;;;/m.0.../s1
• InChIKey: SFGFZKBCTLIAAZ-YPVOPAHYSA-N
• XLogP: 12.57
• TPSA: 192.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1296.29
LogP ≤ 5	12.57
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium)?

The IUPAC name of carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium) (CID 158569248) is carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium).

What is the SMILES notation for carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium)?

The canonical SMILES for carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium) is CCC1(CC)C(=CC=CC=CC=CC2=[N+](CCC(=O)O)c3ccc4cc(C)c[c-]c4c3C2(CC)CC)N(CCC(=O)NC)c2ccc3cc(C)c[c-]c3c21.NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NN.[CH3-].[Y].[Y].

What is the InChIKey of carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium)?

The InChIKey is SFGFZKBCTLIAAZ-YPVOPAHYSA-N. The full InChI is InChI=1S/C48H54N3O3.C21H26N4O3.CH3.2Y/c1-8-47(9-2)41(50(29-27-43(52)49-7)39-25-21-35-31-33(5)19-23-37(35)45(39)47)17-15-13-12-14-16-18-42-48(10-3,11-4)46-38-24-20-34(6)32-36(38)22-26-40(46)51(42)30-28-44(53)54;22-12-6-5-11-19(20(26)25-23)24-21(27)28-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;;;/h12-22,25-26,31-32H,8-11,27-30H2,1-7H3,(H,49,52)(H,53,54);1-4,7-10,18-19H,5-6,11-13,22-23H2,(H,24,27)(H,25,26);1H3;;/q-1;;-1;;/t;19-;;;/m.0.../s1.

What are the key properties of carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium)?

carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium) has a molecular weight of 1296.29 g/mol, XLogP of 12.57, 22 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;3-[2-[7-[1,1-diethyl-7-methyl-3-[3-(methylamino)-3-oxopropyl]-9H-benzo[e]indol-9-id-2-ylidene]hepta-1,3,5-trienyl]-1,1-diethyl-7-methyl-9H-benzo[e]indol-3-ium-9-id-3-yl]propanoic acid;9H-fluoren-9-ylmethyl N-[(2S)-6-amino-1-hydrazinyl-1-oxohexan-2-yl]carbamate;bis(yttrium) is sourced from PubChem (CID 158569248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).