chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate

C46H43Cl2N3O6 — CID 144891922

About chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate

chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate (PubChem CID 144891922) has the molecular formula C46H43Cl2N3O6 and a molecular weight of 804.77 g/mol. Its IUPAC name is chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate.

Molecular Properties

• Compound Name: chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate
• PubChem CID: 144891922
• Molecular Formula: C46H43Cl2N3O6
• Molecular Weight: 804.77 g/mol
• Exact Mass: 803.25
• IUPAC Name: chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate
• SMILES: CCl.CN(CC(=O)N1CCc2c1cc(O)c1ccccc21)CC(=O)N1CC(CCl)c2c1cc(O)c1ccccc21.O=COCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C30H28ClN3O4.C15H12O2.CH3Cl/c1-32(16-28(37)33-11-10-20-19-6-2-3-7-21(19)26(35)12-24(20)33)17-29(38)34-15-18(14-31)30-23-9-5-4-8-22(23)27(36)13-25(30)34;16-10-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-2/h2-9,12-13,18,35-36H,10-11,14-17H2,1H3;1-8,10,15H,9H2;1H3
• InChIKey: VOENGFMQUDAXHP-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 110.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.77
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate?

The IUPAC name of chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate (CID 144891922) is chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate.

What is the SMILES notation for chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate?

The canonical SMILES for chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate is CCl.CN(CC(=O)N1CCc2c1cc(O)c1ccccc21)CC(=O)N1CC(CCl)c2c1cc(O)c1ccccc21.O=COCC1c2ccccc2-c2ccccc21.

What is the InChIKey of chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate?

The InChIKey is VOENGFMQUDAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O4.C15H12O2.CH3Cl/c1-32(16-28(37)33-11-10-20-19-6-2-3-7-21(19)26(35)12-24(20)33)17-29(38)34-15-18(14-31)30-23-9-5-4-8-22(23)27(36)13-25(30)34;16-10-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15;1-2/h2-9,12-13,18,35-36H,10-11,14-17H2,1H3;1-8,10,15H,9H2;1H3.

What are the key properties of chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate?

chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate has a molecular weight of 804.77 g/mol, XLogP of 8.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethane;2-[[2-[1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-2-oxoethyl]-methylamino]-1-(5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl)ethanone;9H-fluoren-9-ylmethyl formate is sourced from PubChem (CID 144891922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).