5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine

C27H23ClN4 — CID 125273779

IUPAC5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1
InChIInChI=1S/C27H23ClN4/c1-18(2)29-24-17-27-25(16-23(24)30-20-8-4-3-5-9-20)31-22-10-6-7-11-26(22)32(27)21-14-12-19(28)13-15-21/h3-18,30H,1-2H3/b29-24+
InChIKeyFODRNNREDTYXTK-RMLRFSFXSA-N
MW438.96 g/mol
LogP6.84
Rot. Bonds4

About 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine

5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine (PubChem CID 125273779) has the molecular formula C27H23ClN4 and a molecular weight of 438.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine
PubChem CID125273779
Molecular FormulaC27H23ClN4
Molecular Weight438.96 g/mol
Exact Mass438.16
IUPAC Name5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1
InChIInChI=1S/C27H23ClN4/c1-18(2)29-24-17-27-25(16-23(24)30-20-8-4-3-5-9-20)31-22-10-6-7-11-26(22)32(27)21-14-12-19(28)13-15-21/h3-18,30H,1-2H3/b29-24+
InChIKeyFODRNNREDTYXTK-RMLRFSFXSA-N
XLogP6.84
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.96
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine (CID 125273779) is 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine is CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine?
The InChIKey is FODRNNREDTYXTK-RMLRFSFXSA-N. The full InChI is InChI=1S/C27H23ClN4/c1-18(2)29-24-17-27-25(16-23(24)30-20-8-4-3-5-9-20)31-22-10-6-7-11-26(22)32(27)21-14-12-19(28)13-15-21/h3-18,30H,1-2H3/b29-24+.
What are the key properties of 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine?
5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine has a molecular weight of 438.96 g/mol, XLogP of 6.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yliminophenazin-2-amine is sourced from PubChem (CID 125273779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).