2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine

C34H38N4 — CID 20665305

IUPAC2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(CCCCCCc3ccc4c(c3)N(C)c3ccccc3N4C)ccc21
InChIInChI=1S/C34H38N4/c1-35-27-15-9-11-17-29(27)37(3)33-23-25(19-21-31(33)35)13-7-5-6-8-14-26-20-22-32-34(24-26)38(4)30-18-12-10-16-28(30)36(32)2/h9-12,15-24H,5-8,13-14H2,1-4H3
InChIKeyXNFPPWSWKCMFQT-UHFFFAOYSA-N
MW502.71 g/mol
LogP8.73
Rot. Bonds7

About 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine

2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine (PubChem CID 20665305) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine.

Molecular Properties

Compound Name2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine
PubChem CID20665305
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC Name2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(CCCCCCc3ccc4c(c3)N(C)c3ccccc3N4C)ccc21
InChIInChI=1S/C34H38N4/c1-35-27-15-9-11-17-29(27)37(3)33-23-25(19-21-31(33)35)13-7-5-6-8-14-26-20-22-32-34(24-26)38(4)30-18-12-10-16-28(30)36(32)2/h9-12,15-24H,5-8,13-14H2,1-4H3
InChIKeyXNFPPWSWKCMFQT-UHFFFAOYSA-N
XLogP8.73
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine?
The IUPAC name of 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine (CID 20665305) is 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine.
What is the SMILES notation for 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine?
The canonical SMILES for 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine is CN1c2ccccc2N(C)c2cc(CCCCCCc3ccc4c(c3)N(C)c3ccccc3N4C)ccc21.
What is the InChIKey of 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine?
The InChIKey is XNFPPWSWKCMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4/c1-35-27-15-9-11-17-29(27)37(3)33-23-25(19-21-31(33)35)13-7-5-6-8-14-26-20-22-32-34(24-26)38(4)30-18-12-10-16-28(30)36(32)2/h9-12,15-24H,5-8,13-14H2,1-4H3.
What are the key properties of 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine?
2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine has a molecular weight of 502.71 g/mol, XLogP of 8.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,10-dimethylphenazin-2-yl)hexyl]-5,10-dimethylphenazine is sourced from PubChem (CID 20665305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).