N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine

C24H21N4+ — CID 130467467

IUPACN-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine
SMILESC=C/C=N/c1cc2c(cc1C)nc1cc(C)c(N=C)cc1[n+]2-c1ccccc1
InChIInChI=1S/C24H21N4/c1-5-11-26-20-15-24-22(13-17(20)3)27-21-12-16(2)19(25-4)14-23(21)28(24)18-9-7-6-8-10-18/h5-15H,1,4H2,2-3H3/q+1
InChIKeyKNJBVMUEHFCZII-UHFFFAOYSA-N
MW365.46 g/mol
LogP5.50
Rot. Bonds4

About N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine

N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine (PubChem CID 130467467) has the molecular formula C24H21N4+ and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound NameN-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine
PubChem CID130467467
Molecular FormulaC24H21N4+
Molecular Weight365.46 g/mol
Exact Mass365.18
IUPAC NameN-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine
SMILESC=C/C=N/c1cc2c(cc1C)nc1cc(C)c(N=C)cc1[n+]2-c1ccccc1
InChIInChI=1S/C24H21N4/c1-5-11-26-20-15-24-22(13-17(20)3)27-21-12-16(2)19(25-4)14-23(21)28(24)18-9-7-6-8-10-18/h5-15H,1,4H2,2-3H3/q+1
InChIKeyKNJBVMUEHFCZII-UHFFFAOYSA-N
XLogP5.50
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine?
The IUPAC name of N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine (CID 130467467) is N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine.
What is the SMILES notation for N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine?
The canonical SMILES for N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine is C=C/C=N/c1cc2c(cc1C)nc1cc(C)c(N=C)cc1[n+]2-c1ccccc1.
What is the InChIKey of N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine?
The InChIKey is KNJBVMUEHFCZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N4/c1-5-11-26-20-15-24-22(13-17(20)3)27-21-12-16(2)19(25-4)14-23(21)28(24)18-9-7-6-8-10-18/h5-15H,1,4H2,2-3H3/q+1.
What are the key properties of N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine?
N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine has a molecular weight of 365.46 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,7-dimethyl-8-(methylideneamino)-10-phenylphenazin-10-ium-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 130467467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).