5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde

C32H26Br2N2O6 — CID 135360864

About 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde

5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde (PubChem CID 135360864) has the molecular formula C32H26Br2N2O6 and a molecular weight of 694.38 g/mol. Its IUPAC name is 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
• PubChem CID: 135360864
• Molecular Formula: C32H26Br2N2O6
• Molecular Weight: 694.38 g/mol
• Exact Mass: 692.02
• IUPAC Name: 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
• SMILES: COc1nc(O[C@H]2CCc3c(-c4cccc5c4CC[C@@H]5Oc4nc(OC)c(C=O)cc4Br)cccc32)c(Br)cc1C=O
• InChI: InChI=1S/C32H26Br2N2O6/c1-39-29-17(15-37)13-25(33)31(35-29)41-27-11-9-21-19(5-3-7-23(21)27)20-6-4-8-24-22(20)10-12-28(24)42-32-26(34)14-18(16-38)30(36-32)40-2/h3-8,13-16,27-28H,9-12H2,1-2H3/t27-,28-/m0/s1
• InChIKey: PLHFDTDMQCRVEQ-NSOVKSMOSA-N
• XLogP: 7.44
• TPSA: 96.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	694.38
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The IUPAC name of 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde (CID 135360864) is 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde.

What is the SMILES notation for 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The canonical SMILES for 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde is COc1nc(O[C@H]2CCc3c(-c4cccc5c4CC[C@@H]5Oc4nc(OC)c(C=O)cc4Br)cccc32)c(Br)cc1C=O.

What is the InChIKey of 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The InChIKey is PLHFDTDMQCRVEQ-NSOVKSMOSA-N. The full InChI is InChI=1S/C32H26Br2N2O6/c1-39-29-17(15-37)13-25(33)31(35-29)41-27-11-9-21-19(5-3-7-23(21)27)20-6-4-8-24-22(20)10-12-28(24)42-32-26(34)14-18(16-38)30(36-32)40-2/h3-8,13-16,27-28H,9-12H2,1-2H3/t27-,28-/m0/s1.

What are the key properties of 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 694.38 g/mol, XLogP of 7.44, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 135360864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).