2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine

C126H123FN8O8 — CID 159078700

IUPAC2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine
SMILESCCOc1ccc(-c2ccc3c(c2)N(CC)c2ccc(-c4ccc(OCC)cc4)cc2N3CC)cc1.COc1cc(C)c(-c2ccc3c(c2)N(C)c2c(Oc4ccccc4)cccc2N3C)cc1F.COc1ccc(-c2ccc3c(c2)N(C)c2ccc(-c4ccc(OC)cc4)cc2N3C)cc1.Cc1cc(Oc2ccccc2)ccc1-c1ccc2c(c1)N(C(C)C)c1c(C)cc(Oc3ccccc3)cc1N2C(C)C
InChIInChI=1S/C38H38N2O2.C32H34N2O2.C28H25FN2O2.C28H26N2O2/c1-25(2)39-35-20-17-29(34-19-18-32(21-27(34)5)41-30-13-9-7-10-14-30)23-36(35)40(26(3)4)38-28(6)22-33(24-37(38)39)42-31-15-11-8-12-16-31;1-5-33-29-19-13-26(24-11-17-28(18-12-24)36-8-4)22-32(29)34(6-2)30-20-14-25(21-31(30)33)23-9-15-27(16-10-23)35-7-3;1-18-15-27(32-4)22(29)17-21(18)19-13-14-23-25(16-19)31(3)28-24(30(23)2)11-8-12-26(28)33-20-9-6-5-7-10-20;1-29-25-15-9-22(20-7-13-24(32-4)14-8-20)18-28(25)30(2)26-16-10-21(17-27(26)29)19-5-11-23(31-3)12-6-19/h7-26H,1-6H3;9-22H,5-8H2,1-4H3;5-17H,1-4H3;5-18H,1-4H3
InChIKeyKAORFYYYIXQZAF-UHFFFAOYSA-N
MW1896.42 g/mol
LogP33.75
Rot. Bonds23

About 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine

2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine (PubChem CID 159078700) has the molecular formula C126H123FN8O8 and a molecular weight of 1896.42 g/mol. Its IUPAC name is 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine.

Molecular Properties

Compound Name2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine
PubChem CID159078700
Molecular FormulaC126H123FN8O8
Molecular Weight1896.42 g/mol
Exact Mass1894.94
IUPAC Name2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine
SMILESCCOc1ccc(-c2ccc3c(c2)N(CC)c2ccc(-c4ccc(OCC)cc4)cc2N3CC)cc1.COc1cc(C)c(-c2ccc3c(c2)N(C)c2c(Oc4ccccc4)cccc2N3C)cc1F.COc1ccc(-c2ccc3c(c2)N(C)c2ccc(-c4ccc(OC)cc4)cc2N3C)cc1.Cc1cc(Oc2ccccc2)ccc1-c1ccc2c(c1)N(C(C)C)c1c(C)cc(Oc3ccccc3)cc1N2C(C)C
InChIInChI=1S/C38H38N2O2.C32H34N2O2.C28H25FN2O2.C28H26N2O2/c1-25(2)39-35-20-17-29(34-19-18-32(21-27(34)5)41-30-13-9-7-10-14-30)23-36(35)40(26(3)4)38-28(6)22-33(24-37(38)39)42-31-15-11-8-12-16-31;1-5-33-29-19-13-26(24-11-17-28(18-12-24)36-8-4)22-32(29)34(6-2)30-20-14-25(21-31(30)33)23-9-15-27(16-10-23)35-7-3;1-18-15-27(32-4)22(29)17-21(18)19-13-14-23-25(16-19)31(3)28-24(30(23)2)11-8-12-26(28)33-20-9-6-5-7-10-20;1-29-25-15-9-22(20-7-13-24(32-4)14-8-20)18-28(25)30(2)26-16-10-21(17-27(26)29)19-5-11-23(31-3)12-6-19/h7-26H,1-6H3;9-22H,5-8H2,1-4H3;5-17H,1-4H3;5-18H,1-4H3
InChIKeyKAORFYYYIXQZAF-UHFFFAOYSA-N
XLogP33.75
TPSA99.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms143
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001896.42
LogP ≤ 533.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine?
The IUPAC name of 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine (CID 159078700) is 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine.
What is the SMILES notation for 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine?
The canonical SMILES for 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine is CCOc1ccc(-c2ccc3c(c2)N(CC)c2ccc(-c4ccc(OCC)cc4)cc2N3CC)cc1.COc1cc(C)c(-c2ccc3c(c2)N(C)c2c(Oc4ccccc4)cccc2N3C)cc1F.COc1ccc(-c2ccc3c(c2)N(C)c2ccc(-c4ccc(OC)cc4)cc2N3C)cc1.Cc1cc(Oc2ccccc2)ccc1-c1ccc2c(c1)N(C(C)C)c1c(C)cc(Oc3ccccc3)cc1N2C(C)C.
What is the InChIKey of 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine?
The InChIKey is KAORFYYYIXQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N2O2.C32H34N2O2.C28H25FN2O2.C28H26N2O2/c1-25(2)39-35-20-17-29(34-19-18-32(21-27(34)5)41-30-13-9-7-10-14-30)23-36(35)40(26(3)4)38-28(6)22-33(24-37(38)39)42-31-15-11-8-12-16-31;1-5-33-29-19-13-26(24-11-17-28(18-12-24)36-8-4)22-32(29)34(6-2)30-20-14-25(21-31(30)33)23-9-15-27(16-10-23)35-7-3;1-18-15-27(32-4)22(29)17-21(18)19-13-14-23-25(16-19)31(3)28-24(30(23)2)11-8-12-26(28)33-20-9-6-5-7-10-20;1-29-25-15-9-22(20-7-13-24(32-4)14-8-20)18-28(25)30(2)26-16-10-21(17-27(26)29)19-5-11-23(31-3)12-6-19/h7-26H,1-6H3;9-22H,5-8H2,1-4H3;5-17H,1-4H3;5-18H,1-4H3.
What are the key properties of 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine?
2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine has a molecular weight of 1896.42 g/mol, XLogP of 33.75, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine is sourced from PubChem (CID 159078700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).