2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine

C23H25N4+ — CID 15549082

IUPAC2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine
SMILESCCNc1cc2c(cc1C)nc1cc(C)c(NC)cc1[n+]2-c1ccccc1
InChIInChI=1S/C23H24N4/c1-5-25-19-14-23-21(12-16(19)3)26-20-11-15(2)18(24-4)13-22(20)27(23)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,24,25)/p+1
InChIKeyQFJRXPWPCNFSJS-UHFFFAOYSA-O
MW357.48 g/mol
LogP4.76
Rot. Bonds4

About 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine

2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine (PubChem CID 15549082) has the molecular formula C23H25N4+ and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine.

Molecular Properties

Compound Name2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine
PubChem CID15549082
Molecular FormulaC23H25N4+
Molecular Weight357.48 g/mol
Exact Mass357.21
IUPAC Name2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine
SMILESCCNc1cc2c(cc1C)nc1cc(C)c(NC)cc1[n+]2-c1ccccc1
InChIInChI=1S/C23H24N4/c1-5-25-19-14-23-21(12-16(19)3)26-20-11-15(2)18(24-4)13-22(20)27(23)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,24,25)/p+1
InChIKeyQFJRXPWPCNFSJS-UHFFFAOYSA-O
XLogP4.76
TPSA40.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine?
The IUPAC name of 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine (CID 15549082) is 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine.
What is the SMILES notation for 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine?
The canonical SMILES for 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine is CCNc1cc2c(cc1C)nc1cc(C)c(NC)cc1[n+]2-c1ccccc1.
What is the InChIKey of 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine?
The InChIKey is QFJRXPWPCNFSJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N4/c1-5-25-19-14-23-21(12-16(19)3)26-20-11-15(2)18(24-4)13-22(20)27(23)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,24,25)/p+1.
What are the key properties of 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine?
2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine has a molecular weight of 357.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-8-N,3,7-trimethyl-10-phenylphenazin-10-ium-2,8-diamine is sourced from PubChem (CID 15549082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).