9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate

C44H42ClN5O6 — CID 118261675

About 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate (PubChem CID 118261675) has the molecular formula C44H42ClN5O6 and a molecular weight of 772.30 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate
• PubChem CID: 118261675
• Molecular Formula: C44H42ClN5O6
• Molecular Weight: 772.30 g/mol
• Exact Mass: 771.28
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate
• SMILES: CCC1CN(C(=O)CN(CC(=O)N2CC(CCl)c3c2cc(O)c2[nH]cc(C)c32)C(=O)OCC2c3ccccc3-c3ccccc32)c2cc(O)c3[nH]cc(C)c3c21
• InChI: InChI=1S/C44H42ClN5O6/c1-4-25-18-49(32-13-34(51)42-38(40(25)32)23(2)16-46-42)36(53)20-48(44(55)56-22-31-29-11-7-5-9-27(29)28-10-6-8-12-30(28)31)21-37(54)50-19-26(15-45)41-33(50)14-35(52)43-39(41)24(3)17-47-43/h5-14,16-17,25-26,31,46-47,51-52H,4,15,18-22H2,1-3H3
• InChIKey: VPNNCJNTMGTQLC-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 142.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.30
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate (CID 118261675) is 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate is CCC1CN(C(=O)CN(CC(=O)N2CC(CCl)c3c2cc(O)c2[nH]cc(C)c32)C(=O)OCC2c3ccccc3-c3ccccc32)c2cc(O)c3[nH]cc(C)c3c21.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate?

The InChIKey is VPNNCJNTMGTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42ClN5O6/c1-4-25-18-49(32-13-34(51)42-38(40(25)32)23(2)16-46-42)36(53)20-48(44(55)56-22-31-29-11-7-5-9-27(29)28-10-6-8-12-30(28)31)21-37(54)50-19-26(15-45)41-33(50)14-35(52)43-39(41)24(3)17-47-43/h5-14,16-17,25-26,31,46-47,51-52H,4,15,18-22H2,1-3H3.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate has a molecular weight of 772.30 g/mol, XLogP of 8.14, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-2-oxoethyl]-N-[2-(8-ethyl-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 118261675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).