3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine

C30H28FN5 — CID 66631986

IUPAC3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
SMILESCc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=N\C2CCCCC2)cn1
InChIInChI=1S/C30H28FN5/c1-20-11-14-23(19-32-20)34-26-17-28-30(18-27(26)33-22-7-3-2-4-8-22)36(24-15-12-21(31)13-16-24)29-10-6-5-9-25(29)35-28/h5-6,9-19,22,34H,2-4,7-8H2,1H3/b33-27+
InChIKeyMIYACVBZOAVQAP-MUGXBBEHSA-N
MW477.59 g/mol
LogP6.95
Rot. Bonds4

About 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine

3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 66631986) has the molecular formula C30H28FN5 and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
PubChem CID66631986
Molecular FormulaC30H28FN5
Molecular Weight477.59 g/mol
Exact Mass477.23
IUPAC Name3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
SMILESCc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=N\C2CCCCC2)cn1
InChIInChI=1S/C30H28FN5/c1-20-11-14-23(19-32-20)34-26-17-28-30(18-27(26)33-22-7-3-2-4-8-22)36(24-15-12-21(31)13-16-24)29-10-6-5-9-25(29)35-28/h5-6,9-19,22,34H,2-4,7-8H2,1H3/b33-27+
InChIKeyMIYACVBZOAVQAP-MUGXBBEHSA-N
XLogP6.95
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.59
LogP ≤ 56.95
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-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine (CID 66631986) is 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine is Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=N\C2CCCCC2)cn1.
What is the InChIKey of 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
The InChIKey is MIYACVBZOAVQAP-MUGXBBEHSA-N. The full InChI is InChI=1S/C30H28FN5/c1-20-11-14-23(19-32-20)34-26-17-28-30(18-27(26)33-22-7-3-2-4-8-22)36(24-15-12-21(31)13-16-24)29-10-6-5-9-25(29)35-28/h5-6,9-19,22,34H,2-4,7-8H2,1H3/b33-27+.
What are the key properties of 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine?
3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 477.59 g/mol, XLogP of 6.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66631986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).