9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate

C40H34FN3O6 — CID 164855008

About 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate

9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate (PubChem CID 164855008) has the molecular formula C40H34FN3O6 and a molecular weight of 671.73 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate
• PubChem CID: 164855008
• Molecular Formula: C40H34FN3O6
• Molecular Weight: 671.73 g/mol
• Exact Mass: 671.24
• IUPAC Name: 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(C)(N(C)C(=O)OC1c2ccccc2-c2ccccc21)CC3
• InChI: InChI=1S/C40H34FN3O6/c1-5-40(48)28-16-31-34-26(18-44(31)36(45)27(28)19-49-37(40)46)33-32-21(20(2)29(41)17-30(32)42-34)14-15-39(33,3)43(4)38(47)50-35-24-12-8-6-10-22(24)23-11-7-9-13-25(23)35/h6-13,16-17,35,48H,5,14-15,18-19H2,1-4H3/t39?,40-/m0/s1
• InChIKey: RSUWZTOJXYKILH-YFCYKHDGSA-N
• XLogP: 6.53
• TPSA: 110.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	671.73
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate?

The IUPAC name of 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate (CID 164855008) is 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate.

What is the SMILES notation for 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate?

The canonical SMILES for 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(C)(N(C)C(=O)OC1c2ccccc2-c2ccccc21)CC3.

What is the InChIKey of 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate?

The InChIKey is RSUWZTOJXYKILH-YFCYKHDGSA-N. The full InChI is InChI=1S/C40H34FN3O6/c1-5-40(48)28-16-31-34-26(18-44(31)36(45)27(28)19-49-37(40)46)33-32-21(20(2)29(41)17-30(32)42-34)14-15-39(33,3)43(4)38(47)50-35-24-12-8-6-10-22(24)23-11-7-9-13-25(23)35/h6-13,16-17,35,48H,5,14-15,18-19H2,1-4H3/t39?,40-/m0/s1.

What are the key properties of 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate?

9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate has a molecular weight of 671.73 g/mol, XLogP of 6.53, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-yl N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-N-methylcarbamate is sourced from PubChem (CID 164855008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).