N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)

C28H17F6N5O4 — CID 172777614

IUPACN-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc2nc3c(Nc4cccc5nc6ccccc6nc45)cccc3nc2c1
InChIInChI=1S/C24H15N5.2C2HF3O2/c1-3-9-17-15(7-1)25-19-11-5-13-21(23(19)28-17)27-22-14-6-12-20-24(22)29-18-10-4-2-8-16(18)26-20;2*3-2(4,5)1(6)7/h1-14,27H;2*(H,6,7)
InChIKeyNUVKVTYZGJETSK-UHFFFAOYSA-N
MW601.46 g/mol
LogP6.89
Rot. Bonds2

About N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)

N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 172777614) has the molecular formula C28H17F6N5O4 and a molecular weight of 601.46 g/mol. Its IUPAC name is N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID172777614
Molecular FormulaC28H17F6N5O4
Molecular Weight601.46 g/mol
Exact Mass601.12
IUPAC NameN-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc2nc3c(Nc4cccc5nc6ccccc6nc45)cccc3nc2c1
InChIInChI=1S/C24H15N5.2C2HF3O2/c1-3-9-17-15(7-1)25-19-11-5-13-21(23(19)28-17)27-22-14-6-12-20-24(22)29-18-10-4-2-8-16(18)26-20;2*3-2(4,5)1(6)7/h1-14,27H;2*(H,6,7)
InChIKeyNUVKVTYZGJETSK-UHFFFAOYSA-N
XLogP6.89
TPSA138.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.46
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid) (CID 172777614) is N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc2nc3c(Nc4cccc5nc6ccccc6nc45)cccc3nc2c1.
What is the InChIKey of N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is NUVKVTYZGJETSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5.2C2HF3O2/c1-3-9-17-15(7-1)25-19-11-5-13-21(23(19)28-17)27-22-14-6-12-20-24(22)29-18-10-4-2-8-16(18)26-20;2*3-2(4,5)1(6)7/h1-14,27H;2*(H,6,7).
What are the key properties of N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid)?
N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 601.46 g/mol, XLogP of 6.89, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenazin-1-ylphenazin-1-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 172777614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).