3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine

C29H25F2N5 — CID 66805824

IUPAC3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
SMILESFc1ccc(-n2c3c/c(=N\C4CCCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1F
InChIInChI=1S/C29H25F2N5/c30-22-13-12-21(15-23(22)31)36-28-11-5-4-10-24(28)35-27-16-25(34-20-9-6-14-32-18-20)26(17-29(27)36)33-19-7-2-1-3-8-19/h4-6,9-19,34H,1-3,7-8H2/b33-26+
InChIKeyCFHPIMLWTFPVJC-MHTZHOPKSA-N
MW481.55 g/mol
LogP6.78
Rot. Bonds4

About 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine

3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine (PubChem CID 66805824) has the molecular formula C29H25F2N5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
PubChem CID66805824
Molecular FormulaC29H25F2N5
Molecular Weight481.55 g/mol
Exact Mass481.21
IUPAC Name3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
SMILESFc1ccc(-n2c3c/c(=N\C4CCCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1F
InChIInChI=1S/C29H25F2N5/c30-22-13-12-21(15-23(22)31)36-28-11-5-4-10-24(28)35-27-16-25(34-20-9-6-14-32-18-20)26(17-29(27)36)33-19-7-2-1-3-8-19/h4-6,9-19,34H,1-3,7-8H2/b33-26+
InChIKeyCFHPIMLWTFPVJC-MHTZHOPKSA-N
XLogP6.78
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 56.78
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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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine (CID 66805824) is 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine is Fc1ccc(-n2c3c/c(=N\C4CCCCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1F.
What is the InChIKey of 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is CFHPIMLWTFPVJC-MHTZHOPKSA-N. The full InChI is InChI=1S/C29H25F2N5/c30-22-13-12-21(15-23(22)31)36-28-11-5-4-10-24(28)35-27-16-25(34-20-9-6-14-32-18-20)26(17-29(27)36)33-19-7-2-1-3-8-19/h4-6,9-19,34H,1-3,7-8H2/b33-26+.
What are the key properties of 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine?
3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 481.55 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 66805824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).