5-methyl-10-octadecylphenazine

C31H48N2 — CID 10813380

IUPAC5-methyl-10-octadecylphenazine
SMILESCCCCCCCCCCCCCCCCCCN1c2ccccc2N(C)c2ccccc21
InChIInChI=1S/C31H48N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-33-30-25-20-18-23-28(30)32(2)29-24-19-21-26-31(29)33/h18-21,23-26H,3-17,22,27H2,1-2H3
InChIKeyUWGVAOHWQWZXCW-UHFFFAOYSA-N
MW448.74 g/mol
LogP10.17
Rot. Bonds17

About 5-methyl-10-octadecylphenazine

5-methyl-10-octadecylphenazine (PubChem CID 10813380) has the molecular formula C31H48N2 and a molecular weight of 448.74 g/mol. Its IUPAC name is 5-methyl-10-octadecylphenazine.

Molecular Properties

Compound Name5-methyl-10-octadecylphenazine
PubChem CID10813380
Molecular FormulaC31H48N2
Molecular Weight448.74 g/mol
Exact Mass448.38
IUPAC Name5-methyl-10-octadecylphenazine
SMILESCCCCCCCCCCCCCCCCCCN1c2ccccc2N(C)c2ccccc21
InChIInChI=1S/C31H48N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-33-30-25-20-18-23-28(30)32(2)29-24-19-21-26-31(29)33/h18-21,23-26H,3-17,22,27H2,1-2H3
InChIKeyUWGVAOHWQWZXCW-UHFFFAOYSA-N
XLogP10.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.74
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;10-hexylphenoxazine
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10-octyl-3-(10-octylphenothiazin-3-yl)phenothiazine
CID 102519325
CID 177394292
CID 177394292
sodium;5,10-bis(5-bromopentyl)phenazine;carbanide;1,2-diethoxyethane;heptane;phenazine;bromide
CID 162160471
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
10-butylphenothiazine;propane
CID 177020956
2-bromo-1,3-dihexadecyl-2H-benzimidazole
CID 175104565
4-hexyl-2-propyl-1,4-benzoxazin-3-one
CID 71156433
10-heptyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 2852818
2-methyl-4-pentyl-1,4-benzoxazin-3-one
CID 117007341

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10-octadecylphenazine?
The IUPAC name of 5-methyl-10-octadecylphenazine (CID 10813380) is 5-methyl-10-octadecylphenazine.
What is the SMILES notation for 5-methyl-10-octadecylphenazine?
The canonical SMILES for 5-methyl-10-octadecylphenazine is CCCCCCCCCCCCCCCCCCN1c2ccccc2N(C)c2ccccc21.
What is the InChIKey of 5-methyl-10-octadecylphenazine?
The InChIKey is UWGVAOHWQWZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-33-30-25-20-18-23-28(30)32(2)29-24-19-21-26-31(29)33/h18-21,23-26H,3-17,22,27H2,1-2H3.
What are the key properties of 5-methyl-10-octadecylphenazine?
5-methyl-10-octadecylphenazine has a molecular weight of 448.74 g/mol, XLogP of 10.17, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10-octadecylphenazine is sourced from PubChem (CID 10813380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).