N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane

C52H98N6 — CID 144837119

IUPACN'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane
SMILESCC.CCC.Cc1ccc2c(c1)C(CCCCCCN(CCCN(C)C)CCCN(C)C)(CCCCCCN(CCCN(C)C)CCCN(C)C)c1cc(C)ccc1-2
InChIInChI=1S/C47H84N6.C3H8.C2H6/c1-41-23-25-43-44-26-24-42(2)40-46(44)47(45(43)39-41,27-15-11-13-17-33-52(35-19-29-48(3)4)36-20-30-49(5)6)28-16-12-14-18-34-53(37-21-31-50(7)8)38-22-32-51(9)10;1-3-2;1-2/h23-26,39-40H,11-22,27-38H2,1-10H3;3H2,1-2H3;1-2H3
InChIKeyRTLYMKPMDYFDDM-UHFFFAOYSA-N
MW807.40 g/mol
LogP11.32
Rot. Bonds30

About N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane

N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane (PubChem CID 144837119) has the molecular formula C52H98N6 and a molecular weight of 807.40 g/mol. Its IUPAC name is N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane.

Molecular Properties

Compound NameN'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane
PubChem CID144837119
Molecular FormulaC52H98N6
Molecular Weight807.40 g/mol
Exact Mass806.79
IUPAC NameN'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane
SMILESCC.CCC.Cc1ccc2c(c1)C(CCCCCCN(CCCN(C)C)CCCN(C)C)(CCCCCCN(CCCN(C)C)CCCN(C)C)c1cc(C)ccc1-2
InChIInChI=1S/C47H84N6.C3H8.C2H6/c1-41-23-25-43-44-26-24-42(2)40-46(44)47(45(43)39-41,27-15-11-13-17-33-52(35-19-29-48(3)4)36-20-30-49(5)6)28-16-12-14-18-34-53(37-21-31-50(7)8)38-22-32-51(9)10;1-3-2;1-2/h23-26,39-40H,11-22,27-38H2,1-10H3;3H2,1-2H3;1-2H3
InChIKeyRTLYMKPMDYFDDM-UHFFFAOYSA-N
XLogP11.32
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.40
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane?
The IUPAC name of N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane (CID 144837119) is N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane.
What is the SMILES notation for N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane?
The canonical SMILES for N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane is CC.CCC.Cc1ccc2c(c1)C(CCCCCCN(CCCN(C)C)CCCN(C)C)(CCCCCCN(CCCN(C)C)CCCN(C)C)c1cc(C)ccc1-2.
What is the InChIKey of N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane?
The InChIKey is RTLYMKPMDYFDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H84N6.C3H8.C2H6/c1-41-23-25-43-44-26-24-42(2)40-46(44)47(45(43)39-41,27-15-11-13-17-33-52(35-19-29-48(3)4)36-20-30-49(5)6)28-16-12-14-18-34-53(37-21-31-50(7)8)38-22-32-51(9)10;1-3-2;1-2/h23-26,39-40H,11-22,27-38H2,1-10H3;3H2,1-2H3;1-2H3.
What are the key properties of N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane?
N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane has a molecular weight of 807.40 g/mol, XLogP of 11.32, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[9-[6-[bis[3-(dimethylamino)propyl]amino]hexyl]-2,7-dimethylfluoren-9-yl]hexyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine;ethane;propane is sourced from PubChem (CID 144837119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).