[5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen

C54H70FN5O10 — CID 161040533

About [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen

[5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen (PubChem CID 161040533) has the molecular formula C54H70FN5O10 and a molecular weight of 968.18 g/mol. Its IUPAC name is [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen
• PubChem CID: 161040533
• Molecular Formula: C54H70FN5O10
• Molecular Weight: 968.18 g/mol
• Exact Mass: 967.51
• IUPAC Name: [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen
• SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)N(C(=O)OCC3c4cc(CCC(=O)NCCOCCCOC)ccc4-c4c(C(=O)CCCOC(C)CCO)cccc43)c3ccc(F)cc32)c1C.[H][H]
• InChI: InChI=1S/C54H68FN5O10.H2/c1-7-59(8-2)24-22-57-52(64)50-35(4)46(58-36(50)5)32-44-43-31-38(55)17-19-47(43)60(53(44)65)54(66)70-33-45-39-12-9-13-41(48(62)14-10-28-69-34(3)21-25-61)51(39)40-18-15-37(30-42(40)45)16-20-49(63)56-23-29-68-27-11-26-67-6;/h9,12-13,15,17-19,30-32,34,45,58,61H,7-8,10-11,14,16,20-29,33H2,1-6H3,(H,56,63)(H,57,64);1H/b44-32-
• InChIKey: UAUZYUFORMDPLW-HITBFECMSA-N
• XLogP: 7.78
• TPSA: 188.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 27
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	968.18
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen?

The IUPAC name of [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen (CID 161040533) is [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen.

What is the SMILES notation for [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen?

The canonical SMILES for [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)N(C(=O)OCC3c4cc(CCC(=O)NCCOCCCOC)ccc4-c4c(C(=O)CCCOC(C)CCO)cccc43)c3ccc(F)cc32)c1C.[H][H].

What is the InChIKey of [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen?

The InChIKey is UAUZYUFORMDPLW-HITBFECMSA-N. The full InChI is InChI=1S/C54H68FN5O10.H2/c1-7-59(8-2)24-22-57-52(64)50-35(4)46(58-36(50)5)32-44-43-31-38(55)17-19-47(43)60(53(44)65)54(66)70-33-45-39-12-9-13-41(48(62)14-10-28-69-34(3)21-25-61)51(39)40-18-15-37(30-42(40)45)16-20-49(63)56-23-29-68-27-11-26-67-6;/h9,12-13,15,17-19,30-32,34,45,58,61H,7-8,10-11,14,16,20-29,33H2,1-6H3,(H,56,63)(H,57,64);1H/b44-32-;.

What are the key properties of [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen?

[5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen has a molecular weight of 968.18 g/mol, XLogP of 7.78, 27 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-(4-hydroxybutan-2-yloxy)butanoyl]-2-[3-[2-(3-methoxypropoxy)ethylamino]-3-oxopropyl]-9H-fluoren-9-yl]methyl (3Z)-3-[[4-[2-(diethylamino)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-fluoro-2-oxoindole-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 161040533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).