2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine

C37H48N2O — CID 129320347

IUPAC2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C37H48N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-25,27H,9-12,14,16,18,20,26H2,1-6H3/b29-15+,30-17+,31-19+,32-25+
InChIKeyAOZDZCJPOWENSD-QVNVCYKHSA-N
MW536.80 g/mol
LogP11.03
Rot. Bonds15

About 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine

2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine (PubChem CID 129320347) has the molecular formula C37H48N2O and a molecular weight of 536.80 g/mol. Its IUPAC name is 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine.

Molecular Properties

Compound Name2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
PubChem CID129320347
Molecular FormulaC37H48N2O
Molecular Weight536.80 g/mol
Exact Mass536.38
IUPAC Name2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C37H48N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-25,27H,9-12,14,16,18,20,26H2,1-6H3/b29-15+,30-17+,31-19+,32-25+
InChIKeyAOZDZCJPOWENSD-QVNVCYKHSA-N
XLogP11.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.80
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phenazine
CID 5281992
1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
CID 5383734
1-[(2E,6E)-3,7-dimethyldeca-2,6-dienoxy]-3,5-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 162436832
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821
1,4-dimethyl-7-(3,7,11-trimethyldodeca-2,6,10-trienoxy)phenothiazin-3-one
CID 123265772
4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
CID 54278748
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one;7-(3-methylbut-2-enoxy)chromen-2-one
CID 145196276
4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine
CID 162858744
6-(3,7-dimethylocta-2,6-dienoxy)-1-benzofuran-2-carboxylic acid
CID 54108801
6-(3,7-dimethylocta-2,6-dienoxy)-2H-naphthalen-1-one
CID 142633096
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide
CID 15434237

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine?
The IUPAC name of 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine (CID 129320347) is 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine.
What is the SMILES notation for 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine?
The canonical SMILES for 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COc1ccc2nc3ccccc3nc2c1.
What is the InChIKey of 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine?
The InChIKey is AOZDZCJPOWENSD-QVNVCYKHSA-N. The full InChI is InChI=1S/C37H48N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-25,27H,9-12,14,16,18,20,26H2,1-6H3/b29-15+,30-17+,31-19+,32-25+.
What are the key properties of 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine?
2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine has a molecular weight of 536.80 g/mol, XLogP of 11.03, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine is sourced from PubChem (CID 129320347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).