N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate

C140H209F6N13O14P+ — CID 159899733

About N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate

N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate (PubChem CID 159899733) has the molecular formula C140H209F6N13O14P+ and a molecular weight of 2443.25 g/mol. Its IUPAC name is N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate.

Molecular Properties

• Compound Name: N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate
• PubChem CID: 159899733
• Molecular Formula: C140H209F6N13O14P+
• Molecular Weight: 2443.25 g/mol
• Exact Mass: 2441.57
• IUPAC Name: N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate
• SMILES: CCCCCCCCCCCCCCCCN(Cc1ccc(OCCCC(=O)NCc2ccc(C)cc2)cc1OC)C(=O)CCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.CCCCCCCCCCCCCCCCNCc1ccc(OCCCC(=O)NCc2ccc(C)cc2)cc1OC.CCN(C(C)C)C(C)C.CN(C)c1nn2nc3ccc[nH+]c3[n+]2o1.F[P-](F)(F)(F)(F)F.O=C(O)CCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C62H89N3O6.C36H58N2O3.C26H33NO4.C8H9N6O.C8H19N.F6P/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-29-44-65(48-52-41-42-53(46-59(52)69-3)70-45-30-35-60(66)64-47-51-39-37-50(2)38-40-51)61(67)36-23-20-17-14-15-18-21-28-43-63-62(68)71-49-58-56-33-26-24-31-54(56)55-32-25-27-34-57(55)58;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-37-30-33-24-25-34(28-35(33)40-3)41-27-18-19-36(39)38-29-32-22-20-31(2)21-23-32;28-25(29)17-7-5-3-1-2-4-6-12-18-27-26(30)31-19-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24;1-12(2)8-11-14-10-6-4-3-5-9-7(6)13(14)15-8;1-6-9(7(2)3)8(4)5;1-7(2,3,4,5)6/h24-27,31-34,37-42,46,58H,4-23,28-30,35-36,43-45,47-49H2,1-3H3,(H,63,68)(H,64,66);20-25,28,37H,4-19,26-27,29-30H2,1-3H3,(H,38,39);8-11,13-16,24H,1-7,12,17-19H2,(H,27,30)(H,28,29);3-5H,1-2H3;7-8H,6H2,1-5H3;/q;;;+1;;-1/p+1
• InChIKey: SQZHIHINOFZQBY-UHFFFAOYSA-O
• XLogP: 34.96
• TPSA: 309.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 80
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.25
LogP ≤ 5	34.96
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate?

The IUPAC name of N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate (CID 159899733) is N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate.

What is the SMILES notation for N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate?

The canonical SMILES for N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate is CCCCCCCCCCCCCCCCN(Cc1ccc(OCCCC(=O)NCc2ccc(C)cc2)cc1OC)C(=O)CCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.CCCCCCCCCCCCCCCCNCc1ccc(OCCCC(=O)NCc2ccc(C)cc2)cc1OC.CCN(C(C)C)C(C)C.CN(C)c1nn2nc3ccc[nH+]c3[n+]2o1.F[P-](F)(F)(F)(F)F.O=C(O)CCCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate?

The InChIKey is SQZHIHINOFZQBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C62H89N3O6.C36H58N2O3.C26H33NO4.C8H9N6O.C8H19N.F6P/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-29-44-65(48-52-41-42-53(46-59(52)69-3)70-45-30-35-60(66)64-47-51-39-37-50(2)38-40-51)61(67)36-23-20-17-14-15-18-21-28-43-63-62(68)71-49-58-56-33-26-24-31-54(56)55-32-25-27-34-57(55)58;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-37-30-33-24-25-34(28-35(33)40-3)41-27-18-19-36(39)38-29-32-22-20-31(2)21-23-32;28-25(29)17-7-5-3-1-2-4-6-12-18-27-26(30)31-19-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24;1-12(2)8-11-14-10-6-4-3-5-9-7(6)13(14)15-8;1-6-9(7(2)3)8(4)5;1-7(2,3,4,5)6/h24-27,31-34,37-42,46,58H,4-23,28-30,35-36,43-45,47-49H2,1-3H3,(H,63,68)(H,64,66);20-25,28,37H,4-19,26-27,29-30H2,1-3H3,(H,38,39);8-11,13-16,24H,1-7,12,17-19H2,(H,27,30)(H,28,29);3-5H,1-2H3;7-8H,6H2,1-5H3;/q;;;+1;;-1/p+1.

What are the key properties of N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate?

N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate has a molecular weight of 2443.25 g/mol, XLogP of 34.96, 80 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-oxa-5,6,7-triaza-2,12-diazoniatricyclo[6.4.0.02,6]dodeca-1,4,7,9,11-pentaen-4-amine;N-ethyl-N-propan-2-ylpropan-2-amine;11-(9H-fluoren-9-ylmethoxycarbonylamino)undecanoic acid;9H-fluoren-9-ylmethyl N-[11-[hexadecyl-[[2-methoxy-4-[4-[(4-methylphenyl)methylamino]-4-oxobutoxy]phenyl]methyl]amino]-11-oxoundecyl]carbamate;4-[4-[(hexadecylamino)methyl]-3-methoxyphenoxy]-N-[(4-methylphenyl)methyl]butanamide;hexafluorophosphate is sourced from PubChem (CID 159899733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).