9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate

C46H43FN6O10 — CID 172551374

About 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate

9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 172551374) has the molecular formula C46H43FN6O10 and a molecular weight of 858.88 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate
• PubChem CID: 172551374
• Molecular Formula: C46H43FN6O10
• Molecular Weight: 858.88 g/mol
• Exact Mass: 858.30
• IUPAC Name: 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CNC(=O)COCNC(=O)CN(C)C(=O)OC1c2ccccc2-c2ccccc21)CC3
• InChI: InChI=1S/C46H43FN6O10/c1-4-46(60)31-15-35-41-29(18-53(35)43(57)30(31)20-62-44(46)58)40-33(14-13-24-23(2)32(47)16-34(51-41)39(24)40)50-36(54)17-48-38(56)21-61-22-49-37(55)19-52(3)45(59)63-42-27-11-7-5-9-25(27)26-10-6-8-12-28(26)42/h5-12,15-16,33,42,60H,4,13-14,17-22H2,1-3H3,(H,48,56)(H,49,55)(H,50,54)/t33-,46-/m0/s1
• InChIKey: HSSPDZXIMRWKGA-STOKVQJISA-N
• XLogP: 3.68
• TPSA: 207.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.88
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate?

The IUPAC name of 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate (CID 172551374) is 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate.

What is the SMILES notation for 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate?

The canonical SMILES for 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CNC(=O)COCNC(=O)CN(C)C(=O)OC1c2ccccc2-c2ccccc21)CC3.

What is the InChIKey of 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate?

The InChIKey is HSSPDZXIMRWKGA-STOKVQJISA-N. The full InChI is InChI=1S/C46H43FN6O10/c1-4-46(60)31-15-35-41-29(18-53(35)43(57)30(31)20-62-44(46)58)40-33(14-13-24-23(2)32(47)16-34(51-41)39(24)40)50-36(54)17-48-38(56)21-61-22-49-37(55)19-52(3)45(59)63-42-27-11-7-5-9-25(27)26-10-6-8-12-28(26)42/h5-12,15-16,33,42,60H,4,13-14,17-22H2,1-3H3,(H,48,56)(H,49,55)(H,50,54)/t33-,46-/m0/s1.

What are the key properties of 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate?

9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 858.88 g/mol, XLogP of 3.68, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-yl N-[2-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-2-oxoethyl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 172551374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).