6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide

C71H103ClN14O4+2 — CID 58709393

IUPAC6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide
SMILESCN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)CCCCCNC(=O)CCCCCNc3nc(Cl)nc(NCCCCCC(=O)NCCCCCNC(=O)CCCCC[n+]4c5cc(N(C)C)ccc5cc5ccc(N(C)C)cc54)n3)c2c1
InChIInChI=1S/C71H101ClN14O4/c1-81(2)57-36-32-53-47-54-33-37-58(82(3)4)50-63(54)85(62(53)49-57)45-25-12-16-28-61(87)27-15-9-20-40-73-66(88)29-17-10-21-43-76-70-78-69(72)79-71(80-70)77-44-22-11-18-30-67(89)74-41-23-14-24-42-75-68(90)31-19-13-26-46-86-64-51-59(83(5)6)38-34-55(64)48-56-35-39-60(84(7)8)52-65(56)86/h32-39,47-52H,9-31,40-46H2,1-8H3,(H3-2,73,74,75,76,77,78,79,80,88,89,90)/p+2
InChIKeyHFZSMBQMHRTQEB-UHFFFAOYSA-P
MW1252.15 g/mol
LogP12.09
Rot. Bonds42

About 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide

6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide (PubChem CID 58709393) has the molecular formula C71H103ClN14O4+2 and a molecular weight of 1252.15 g/mol. Its IUPAC name is 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide.

Molecular Properties

Compound Name6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide
PubChem CID58709393
Molecular FormulaC71H103ClN14O4+2
Molecular Weight1252.15 g/mol
Exact Mass1250.80
IUPAC Name6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide
SMILESCN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)CCCCCNC(=O)CCCCCNc3nc(Cl)nc(NCCCCCC(=O)NCCCCCNC(=O)CCCCC[n+]4c5cc(N(C)C)ccc5cc5ccc(N(C)C)cc54)n3)c2c1
InChIInChI=1S/C71H101ClN14O4/c1-81(2)57-36-32-53-47-54-33-37-58(82(3)4)50-63(54)85(62(53)49-57)45-25-12-16-28-61(87)27-15-9-20-40-73-66(88)29-17-10-21-43-76-70-78-69(72)79-71(80-70)77-44-22-11-18-30-67(89)74-41-23-14-24-42-75-68(90)31-19-13-26-46-86-64-51-59(83(5)6)38-34-55(64)48-56-35-39-60(84(7)8)52-65(56)86/h32-39,47-52H,9-31,40-46H2,1-8H3,(H3-2,73,74,75,76,77,78,79,80,88,89,90)/p+2
InChIKeyHFZSMBQMHRTQEB-UHFFFAOYSA-P
XLogP12.09
TPSA187.82 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds42
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001252.15
LogP ≤ 512.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide?
The IUPAC name of 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide (CID 58709393) is 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide.
What is the SMILES notation for 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide?
The canonical SMILES for 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide is CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)CCCCCNC(=O)CCCCCNc3nc(Cl)nc(NCCCCCC(=O)NCCCCCNC(=O)CCCCC[n+]4c5cc(N(C)C)ccc5cc5ccc(N(C)C)cc54)n3)c2c1.
What is the InChIKey of 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide?
The InChIKey is HFZSMBQMHRTQEB-UHFFFAOYSA-P. The full InChI is InChI=1S/C71H101ClN14O4/c1-81(2)57-36-32-53-47-54-33-37-58(82(3)4)50-63(54)85(62(53)49-57)45-25-12-16-28-61(87)27-15-9-20-40-73-66(88)29-17-10-21-43-76-70-78-69(72)79-71(80-70)77-44-22-11-18-30-67(89)74-41-23-14-24-42-75-68(90)31-19-13-26-46-86-64-51-59(83(5)6)38-34-55(64)48-56-35-39-60(84(7)8)52-65(56)86/h32-39,47-52H,9-31,40-46H2,1-8H3,(H3-2,73,74,75,76,77,78,79,80,88,89,90)/p+2.
What are the key properties of 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide?
6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide has a molecular weight of 1252.15 g/mol, XLogP of 12.09, 42 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[6-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylamino]-6-oxohexyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-N-[11-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-6-oxoundecyl]hexanamide is sourced from PubChem (CID 58709393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).