6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione

C196H252N6O12 — CID 158404390

About 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione

6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 158404390) has the molecular formula C196H252N6O12 and a molecular weight of 2884.20 g/mol. Its IUPAC name is 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

• Compound Name: 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
• PubChem CID: 158404390
• Molecular Formula: C196H252N6O12
• Molecular Weight: 2884.20 g/mol
• Exact Mass: 2881.93
• IUPAC Name: 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(Cc3ccc4c(c3)C(CCCCCC)(CCCN3C(=O)c5cccc6c(N7CCOCC7)ccc(c56)C3=O)c3cc(C)ccc3-4)cc21.CCCCCCCCOc1cc(Cc2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(C)ccc2-3)c(OCCN2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)cc1C.CCCCCCCCOc1cc(Cc2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(C)ccc2-3)c(OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1C
• InChI: InChI=1S/C70H86N2O3.C64H84N2O5.C62H82N2O4/c1-6-9-12-15-17-20-37-69(38-21-18-16-13-10-7-2)61-45-50(4)26-30-54(61)56-32-28-52(48-63(56)69)47-53-29-33-57-55-31-27-51(5)46-62(55)70(64(57)49-53,36-19-14-11-8-3)39-23-40-72-67(73)59-25-22-24-58-65(71-41-43-75-44-42-71)35-34-60(66(58)59)68(72)74;1-6-9-12-15-18-21-33-64(34-22-19-16-13-10-7-2)56-42-47(4)27-29-51(56)52-30-28-49(45-57(52)64)44-50-46-59(70-38-23-20-17-14-11-8-3)48(5)43-60(50)71-41-37-66-62(67)54-26-24-25-53-58(65-35-39-69-40-36-65)32-31-55(61(53)54)63(66)68;1-8-11-14-17-20-23-35-62(36-24-21-18-15-12-9-2)54-40-45(4)29-31-49(54)50-32-30-47(43-55(50)62)42-48-44-57(67-38-25-22-19-16-13-10-3)46(5)41-58(48)68-39-37-64-60(65)52-28-26-27-51-56(63(6)7)34-33-53(59(51)52)61(64)66/h22,24-35,45-46,48-49H,6-21,23,36-44,47H2,1-5H3;24-32,42-43,45-46H,6-23,33-41,44H2,1-5H3;26-34,40-41,43-44H,8-25,35-39,42H2,1-7H3
• InChIKey: GYMPNZAWRXJOLF-UHFFFAOYSA-N
• XLogP: 50.33
• TPSA: 177.24 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 84
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2884.20
LogP ≤ 5	50.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?

The IUPAC name of 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione (CID 158404390) is 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione.

What is the SMILES notation for 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?

The canonical SMILES for 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(Cc3ccc4c(c3)C(CCCCCC)(CCCN3C(=O)c5cccc6c(N7CCOCC7)ccc(c56)C3=O)c3cc(C)ccc3-4)cc21.CCCCCCCCOc1cc(Cc2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(C)ccc2-3)c(OCCN2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)cc1C.CCCCCCCCOc1cc(Cc2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2cc(C)ccc2-3)c(OCCN2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1C.

What is the InChIKey of 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?

The InChIKey is GYMPNZAWRXJOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H86N2O3.C64H84N2O5.C62H82N2O4/c1-6-9-12-15-17-20-37-69(38-21-18-16-13-10-7-2)61-45-50(4)26-30-54(61)56-32-28-52(48-63(56)69)47-53-29-33-57-55-31-27-51(5)46-62(55)70(64(57)49-53,36-19-14-11-8-3)39-23-40-72-67(73)59-25-22-24-58-65(71-41-43-75-44-42-71)35-34-60(66(58)59)68(72)74;1-6-9-12-15-18-21-33-64(34-22-19-16-13-10-7-2)56-42-47(4)27-29-51(56)52-30-28-49(45-57(52)64)44-50-46-59(70-38-23-20-17-14-11-8-3)48(5)43-60(50)71-41-37-66-62(67)54-26-24-25-53-58(65-35-39-69-40-36-65)32-31-55(61(53)54)63(66)68;1-8-11-14-17-20-23-35-62(36-24-21-18-15-12-9-2)54-40-45(4)29-31-49(54)50-32-30-47(43-55(50)62)42-48-44-57(67-38-25-22-19-16-13-10-3)46(5)41-58(48)68-39-37-64-60(65)52-28-26-27-51-56(63(6)7)34-33-53(59(51)52)61(64)66/h22,24-35,45-46,48-49H,6-21,23,36-44,47H2,1-5H3;24-32,42-43,45-46H,6-23,33-41,44H2,1-5H3;26-34,40-41,43-44H,8-25,35-39,42H2,1-7H3.

What are the key properties of 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione?

6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 2884.20 g/mol, XLogP of 50.33, 84 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(dimethylamino)-2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]benzo[de]isoquinoline-1,3-dione;2-[3-[9-hexyl-2-methyl-7-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]fluoren-9-yl]propyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[5-methyl-2-[(7-methyl-9,9-dioctylfluoren-2-yl)methyl]-4-octoxyphenoxy]ethyl]-6-morpholin-4-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 158404390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).