N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine

C68H110N8O4 — CID 118423250

About N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine

N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine (PubChem CID 118423250) has the molecular formula C68H110N8O4 and a molecular weight of 1103.68 g/mol. Its IUPAC name is N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
• PubChem CID: 118423250
• Molecular Formula: C68H110N8O4
• Molecular Weight: 1103.68 g/mol
• Exact Mass: 1102.87
• IUPAC Name: N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
• SMILES: COCCOCCC1(CCOCCOC)c2cc(C)ccc2-c2ccc(-c3cnc4c(c3)C(CCCCCCN(CCCN(C)C)CCCN(C)C)(CCCCCCN(CCCN(C)C)CCCN(C)C)c3cc(C)cnc3-4)cc21
• InChI: InChI=1S/C68H110N8O4/c1-55-25-27-59-60-28-26-57(51-62(60)68(61(59)49-55,31-43-79-47-45-77-11)32-44-80-48-46-78-12)58-52-64-66(70-54-58)65-63(50-56(2)53-69-65)67(64,29-17-13-15-19-37-75(39-21-33-71(3)4)40-22-34-72(5)6)30-18-14-16-20-38-76(41-23-35-73(7)8)42-24-36-74(9)10/h25-28,49-54H,13-24,29-48H2,1-12H3
• InChIKey: FEUSXKNPSUBOLJ-UHFFFAOYSA-N
• XLogP: 11.71
• TPSA: 82.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 43
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1103.68
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?

The IUPAC name of N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine (CID 118423250) is N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine.

What is the SMILES notation for N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?

The canonical SMILES for N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine is COCCOCCC1(CCOCCOC)c2cc(C)ccc2-c2ccc(-c3cnc4c(c3)C(CCCCCCN(CCCN(C)C)CCCN(C)C)(CCCCCCN(CCCN(C)C)CCCN(C)C)c3cc(C)cnc3-4)cc21.

What is the InChIKey of N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?

The InChIKey is FEUSXKNPSUBOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H110N8O4/c1-55-25-27-59-60-28-26-57(51-62(60)68(61(59)49-55,31-43-79-47-45-77-11)32-44-80-48-46-78-12)58-52-64-66(70-54-58)65-63(50-56(2)53-69-65)67(64,29-17-13-15-19-37-75(39-21-33-71(3)4)40-22-34-72(5)6)30-18-14-16-20-38-76(41-23-35-73(7)8)42-24-36-74(9)10/h25-28,49-54H,13-24,29-48H2,1-12H3.

What are the key properties of N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine?

N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine has a molecular weight of 1103.68 g/mol, XLogP of 11.71, 43 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[6-[8-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-5-[9,9-bis[2-(2-methoxyethoxy)ethyl]-7-methylfluoren-2-yl]-11-methyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 118423250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).