9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate

C36H32N2O8 — CID 11678920

About 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate (PubChem CID 11678920) has the molecular formula C36H32N2O8 and a molecular weight of 620.66 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate
• PubChem CID: 11678920
• Molecular Formula: C36H32N2O8
• Molecular Weight: 620.66 g/mol
• Exact Mass: 620.22
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate
• SMILES: COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)c2c1
• InChI: InChI=1S/C36H32N2O8/c1-42-22-13-14-27-28(34(40)21-15-31(43-2)35(45-4)32(16-21)44-3)19-38(30(27)17-22)33(39)18-37-36(41)46-20-29-25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-17,19,29H,18,20H2,1-4H3,(H,37,41)
• InChIKey: GUAXSMARQIZHBS-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 114.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.66
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate (CID 11678920) is 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)c2c1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate?

The InChIKey is GUAXSMARQIZHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O8/c1-42-22-13-14-27-28(34(40)21-15-31(43-2)35(45-4)32(16-21)44-3)19-38(30(27)17-22)33(39)18-37-36(41)46-20-29-25-11-7-5-9-23(25)24-10-6-8-12-26(24)29/h5-17,19,29H,18,20H2,1-4H3,(H,37,41).

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate has a molecular weight of 620.66 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[6-methoxy-3-(3,4,5-trimethoxybenzoyl)indol-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 11678920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).