5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine

C29H26ClN5 — CID 66805884

IUPAC5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine
SMILESClc1ccccc1-n1c2c/c(=N\C3CCCCC3)c(Nc3cccnc3)cc-2nc2ccccc21
InChIInChI=1S/C29H26ClN5/c30-22-12-4-6-14-27(22)35-28-15-7-5-13-23(28)34-26-17-24(33-21-11-8-16-31-19-21)25(18-29(26)35)32-20-9-2-1-3-10-20/h4-8,11-20,33H,1-3,9-10H2/b32-25+
InChIKeyBZNGAXJGUUAQKC-WGPBWIAQSA-N
MW480.02 g/mol
LogP7.16
Rot. Bonds4

About 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine

5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine (PubChem CID 66805884) has the molecular formula C29H26ClN5 and a molecular weight of 480.02 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine
PubChem CID66805884
Molecular FormulaC29H26ClN5
Molecular Weight480.02 g/mol
Exact Mass479.19
IUPAC Name5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine
SMILESClc1ccccc1-n1c2c/c(=N\C3CCCCC3)c(Nc3cccnc3)cc-2nc2ccccc21
InChIInChI=1S/C29H26ClN5/c30-22-12-4-6-14-27(22)35-28-15-7-5-13-23(28)34-26-17-24(33-21-11-8-16-31-19-21)25(18-29(26)35)32-20-9-2-1-3-10-20/h4-8,11-20,33H,1-3,9-10H2/b32-25+
InChIKeyBZNGAXJGUUAQKC-WGPBWIAQSA-N
XLogP7.16
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.02
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805824
3-cyclobutylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805623
5-(4-chlorophenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
CID 56592452
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66631986
7-chloro-3-(1-methylpiperidin-4-yl)imino-5-phenyl-N-pyridin-3-ylphenazin-2-amine
CID 56591942
3-cyclobutylimino-N-(6-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805723
5-(4-methylphenyl)-3-[1-(2-methylpropyl)piperidin-4-yl]imino-N-pyridin-3-ylphenazin-2-amine
CID 56592282
N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
CID 66805881
5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805676
5-(4-chlorophenyl)-3-(oxan-4-ylimino)-N-pyrimidin-5-ylphenazin-2-amine
CID 66805753
3-cyclopropylimino-N-(5-methyl-3-pyridinyl)-5-phenylphenazin-2-amine
CID 66805717

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine (CID 66805884) is 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine is Clc1ccccc1-n1c2c/c(=N\C3CCCCC3)c(Nc3cccnc3)cc-2nc2ccccc21.
What is the InChIKey of 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is BZNGAXJGUUAQKC-WGPBWIAQSA-N. The full InChI is InChI=1S/C29H26ClN5/c30-22-12-4-6-14-27(22)35-28-15-7-5-13-23(28)34-26-17-24(33-21-11-8-16-31-19-21)25(18-29(26)35)32-20-9-2-1-3-10-20/h4-8,11-20,33H,1-3,9-10H2/b32-25+.
What are the key properties of 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine?
5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 480.02 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-cyclohexylimino-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 66805884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).