8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine

C18H16N4 — CID 57186103

IUPAC8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine
SMILES[H]/N=C1\CCc2nc3ccc(N)c(-c4ccccc4)c3nc2C1
InChIInChI=1S/C18H16N4/c19-12-6-8-14-16(10-12)22-18-15(21-14)9-7-13(20)17(18)11-4-2-1-3-5-11/h1-5,7,9,19H,6,8,10,20H2/b19-12+
InChIKeyBCAMPFBVAYHACM-XDHOZWIPSA-N
MW288.35 g/mol
LogP3.39
Rot. Bonds1

About 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine

8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine (PubChem CID 57186103) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine.

Molecular Properties

Compound Name8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine
PubChem CID57186103
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine
SMILES[H]/N=C1\CCc2nc3ccc(N)c(-c4ccccc4)c3nc2C1
InChIInChI=1S/C18H16N4/c19-12-6-8-14-16(10-12)22-18-15(21-14)9-7-13(20)17(18)11-4-2-1-3-5-11/h1-5,7,9,19H,6,8,10,20H2/b19-12+
InChIKeyBCAMPFBVAYHACM-XDHOZWIPSA-N
XLogP3.39
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine?
The IUPAC name of 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine (CID 57186103) is 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine.
What is the SMILES notation for 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine?
The canonical SMILES for 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine is [H]/N=C1\CCc2nc3ccc(N)c(-c4ccccc4)c3nc2C1.
What is the InChIKey of 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine?
The InChIKey is BCAMPFBVAYHACM-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N4/c19-12-6-8-14-16(10-12)22-18-15(21-14)9-7-13(20)17(18)11-4-2-1-3-5-11/h1-5,7,9,19H,6,8,10,20H2/b19-12+.
What are the key properties of 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine?
8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imino-1-phenyl-7,9-dihydro-6H-phenazin-2-amine is sourced from PubChem (CID 57186103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).