5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide

C21H22N6 — CID 171374493

IUPAC5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide
SMILESCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[N-]=NN
InChIInChI=1S/C21H19N3.H2N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;1-3-2/h3-13,23H,2,22H2,1H3;(H2-,1,2)/q;-1/p+1
InChIKeyGEANBTNAAAOAOY-UHFFFAOYSA-O
MW358.45 g/mol
LogP4.01
Rot. Bonds2

About 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide

5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide (PubChem CID 171374493) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide.

Molecular Properties

Compound Name5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide
PubChem CID171374493
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide
SMILESCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[N-]=NN
InChIInChI=1S/C21H19N3.H2N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;1-3-2/h3-13,23H,2,22H2,1H3;(H2-,1,2)/q;-1/p+1
InChIKeyGEANBTNAAAOAOY-UHFFFAOYSA-O
XLogP4.01
TPSA116.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;mercury(2+);bromide
CID 67510032
5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine;propane
CID 90961020
3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-triethylazanium diiodide
CID 69205294
benzyl N-(3-amino-5-ethyl-6-phenylphenanthridin-5-ium-8-yl)carbamate
CID 102217709
5-ethyl-3,8-dimethyl-6-phenylphenanthridin-5-ium
CID 18730678
5-but-3-enyl-6-phenylphenanthridin-5-ium-3,8-diamine
CID 169189469
5-oct-7-ynyl-6-phenylphenanthridin-5-ium-3,8-diamine
CID 136901692
[3-(carbamoylamino)-5-ethyl-6-phenylphenanthridin-5-ium-8-yl]urea chloride
CID 11212730
[3-(carbamoylamino)-5-ethyl-6-phenylphenanthridin-5-ium-8-yl]urea;hydrochloride
CID 11640676
acridine-3,6-diamine;3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide;hydrochloride
CID 173155956
6-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)-N-(3-methylbut-3-enyl)hexanamide
CID 145074565
CID 158293274
CID 158293274

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide?
The IUPAC name of 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide (CID 171374493) is 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide.
What is the SMILES notation for 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide?
The canonical SMILES for 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide is CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21.[N-]=NN.
What is the InChIKey of 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide?
The InChIKey is GEANBTNAAAOAOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H19N3.H2N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;1-3-2/h3-13,23H,2,22H2,1H3;(H2-,1,2)/q;-1/p+1.
What are the key properties of 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide?
5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide has a molecular weight of 358.45 g/mol, XLogP of 4.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;hydrazinylideneazanide is sourced from PubChem (CID 171374493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).