9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide

C37H41N9O2 — CID 10746743

IUPAC9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide
SMILESCN(CCCNC(=O)c1cccc2nc3cccc(N(C)C)c3nc12)CCCNC(=O)c1cccc2nc3cccc(N(C)C)c3nc12
InChIInChI=1S/C37H41N9O2/c1-44(2)30-18-8-16-28-34(30)42-32-24(12-6-14-26(32)40-28)36(47)38-20-10-22-46(5)23-11-21-39-37(48)25-13-7-15-27-33(25)43-35-29(41-27)17-9-19-31(35)45(3)4/h6-9,12-19H,10-11,20-23H2,1-5H3,(H,38,47)(H,39,48)
InChIKeyLHSOMAYQCUPPHP-UHFFFAOYSA-N
MW643.80 g/mol
LogP4.88
Rot. Bonds12

About 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide

9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide (PubChem CID 10746743) has the molecular formula C37H41N9O2 and a molecular weight of 643.80 g/mol. Its IUPAC name is 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide.

Molecular Properties

Compound Name9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide
PubChem CID10746743
Molecular FormulaC37H41N9O2
Molecular Weight643.80 g/mol
Exact Mass643.34
IUPAC Name9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide
SMILESCN(CCCNC(=O)c1cccc2nc3cccc(N(C)C)c3nc12)CCCNC(=O)c1cccc2nc3cccc(N(C)C)c3nc12
InChIInChI=1S/C37H41N9O2/c1-44(2)30-18-8-16-28-34(30)42-32-24(12-6-14-26(32)40-28)36(47)38-20-10-22-46(5)23-11-21-39-37(48)25-13-7-15-27-33(25)43-35-29(41-27)17-9-19-31(35)45(3)4/h6-9,12-19H,10-11,20-23H2,1-5H3,(H,38,47)(H,39,48)
InChIKeyLHSOMAYQCUPPHP-UHFFFAOYSA-N
XLogP4.88
TPSA119.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.80
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The IUPAC name of 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide (CID 10746743) is 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide.
What is the SMILES notation for 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The canonical SMILES for 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide is CN(CCCNC(=O)c1cccc2nc3cccc(N(C)C)c3nc12)CCCNC(=O)c1cccc2nc3cccc(N(C)C)c3nc12.
What is the InChIKey of 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
The InChIKey is LHSOMAYQCUPPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N9O2/c1-44(2)30-18-8-16-28-34(30)42-32-24(12-6-14-26(32)40-28)36(47)38-20-10-22-46(5)23-11-21-39-37(48)25-13-7-15-27-33(25)43-35-29(41-27)17-9-19-31(35)45(3)4/h6-9,12-19H,10-11,20-23H2,1-5H3,(H,38,47)(H,39,48).
What are the key properties of 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide?
9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide has a molecular weight of 643.80 g/mol, XLogP of 4.88, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylamino)-N-[3-[3-[[9-(dimethylamino)phenazine-1-carbonyl]amino]propyl-methylamino]propyl]phenazine-1-carboxamide is sourced from PubChem (CID 10746743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).