3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine

C35H39N5 — CID 14020653

IUPAC3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine
SMILESCc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\CCCNC2CCCCC2)cc1
InChIInChI=1S/C35H39N5/c1-25-13-17-28(18-14-25)38-32-23-33-35(24-31(32)37-22-8-21-36-27-9-4-3-5-10-27)40(29-19-15-26(2)16-20-29)34-12-7-6-11-30(34)39-33/h6-7,11-20,23-24,27,36,38H,3-5,8-10,21-22H2,1-2H3/b37-31+
InChIKeyUHDFTKSSVGWBIJ-USLOJTSYSA-N
MW529.73 g/mol
LogP7.70
Rot. Bonds8

About 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine

3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine (PubChem CID 14020653) has the molecular formula C35H39N5 and a molecular weight of 529.73 g/mol. Its IUPAC name is 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine.

Molecular Properties

Compound Name3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine
PubChem CID14020653
Molecular FormulaC35H39N5
Molecular Weight529.73 g/mol
Exact Mass529.32
IUPAC Name3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine
SMILESCc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\CCCNC2CCCCC2)cc1
InChIInChI=1S/C35H39N5/c1-25-13-17-28(18-14-25)38-32-23-33-35(24-31(32)37-22-8-21-36-27-9-4-3-5-10-27)40(29-19-15-26(2)16-20-29)34-12-7-6-11-30(34)39-33/h6-7,11-20,23-24,27,36,38H,3-5,8-10,21-22H2,1-2H3/b37-31+
InChIKeyUHDFTKSSVGWBIJ-USLOJTSYSA-N
XLogP7.70
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine?
The IUPAC name of 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine (CID 14020653) is 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine.
What is the SMILES notation for 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine?
The canonical SMILES for 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine is Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\CCCNC2CCCCC2)cc1.
What is the InChIKey of 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine?
The InChIKey is UHDFTKSSVGWBIJ-USLOJTSYSA-N. The full InChI is InChI=1S/C35H39N5/c1-25-13-17-28(18-14-25)38-32-23-33-35(24-31(32)37-22-8-21-36-27-9-4-3-5-10-27)40(29-19-15-26(2)16-20-29)34-12-7-6-11-30(34)39-33/h6-7,11-20,23-24,27,36,38H,3-5,8-10,21-22H2,1-2H3/b37-31+.
What are the key properties of 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine?
3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine has a molecular weight of 529.73 g/mol, XLogP of 7.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylamino)propylimino]-N,5-bis(4-methylphenyl)phenazin-2-amine is sourced from PubChem (CID 14020653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).