8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine

C111H117F3N8O5 — CID 158327048

IUPAC8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine
SMILESCCOc1ccc(-c2ccc3c(c2)N(C(C)C)c2c(cccc2C(F)(F)F)N3C(C)C)c2ccccc12.COc1cc(C)c(-c2ccc3c(c2)N(C(C)C)c2c(C)ccc(C)c2N3C(C)C)cc1C.COc1ccc(-c2ccc3c(c2)N(C)c2c(C)cccc2N3C)c(C)c1.COc1ccc(-c2ccc3c(c2)N(C)c2c(OC)cccc2N3C)c(-c2ccccc2)c1
InChIInChI=1S/C31H31F3N2O.C29H36N2O.C28H26N2O2.C23H24N2O/c1-6-37-29-17-15-22(23-10-7-8-11-24(23)29)21-14-16-26-28(18-21)36(20(4)5)30-25(31(32,33)34)12-9-13-27(30)35(26)19(2)3;1-17(2)30-25-13-12-23(24-14-22(8)27(32-9)15-21(24)7)16-26(25)31(18(3)4)29-20(6)11-10-19(5)28(29)30;1-29-24-16-13-20(17-26(24)30(2)28-25(29)11-8-12-27(28)32-4)22-15-14-21(31-3)18-23(22)19-9-6-5-7-10-19;1-15-7-6-8-21-23(15)25(4)22-14-17(9-12-20(22)24(21)3)19-11-10-18(26-5)13-16(19)2/h7-20H,6H2,1-5H3;10-18H,1-9H3;5-18H,1-4H3;6-14H,1-5H3
InChIKeyGPNQDBYHHOVLLX-UHFFFAOYSA-N
MW1700.20 g/mol
LogP30.05
Rot. Bonds15

About 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine

8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine (PubChem CID 158327048) has the molecular formula C111H117F3N8O5 and a molecular weight of 1700.20 g/mol. Its IUPAC name is 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine.

Molecular Properties

Compound Name8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine
PubChem CID158327048
Molecular FormulaC111H117F3N8O5
Molecular Weight1700.20 g/mol
Exact Mass1698.91
IUPAC Name8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine
SMILESCCOc1ccc(-c2ccc3c(c2)N(C(C)C)c2c(cccc2C(F)(F)F)N3C(C)C)c2ccccc12.COc1cc(C)c(-c2ccc3c(c2)N(C(C)C)c2c(C)ccc(C)c2N3C(C)C)cc1C.COc1ccc(-c2ccc3c(c2)N(C)c2c(C)cccc2N3C)c(C)c1.COc1ccc(-c2ccc3c(c2)N(C)c2c(OC)cccc2N3C)c(-c2ccccc2)c1
InChIInChI=1S/C31H31F3N2O.C29H36N2O.C28H26N2O2.C23H24N2O/c1-6-37-29-17-15-22(23-10-7-8-11-24(23)29)21-14-16-26-28(18-21)36(20(4)5)30-25(31(32,33)34)12-9-13-27(30)35(26)19(2)3;1-17(2)30-25-13-12-23(24-14-22(8)27(32-9)15-21(24)7)16-26(25)31(18(3)4)29-20(6)11-10-19(5)28(29)30;1-29-24-16-13-20(17-26(24)30(2)28-25(29)11-8-12-27(28)32-4)22-15-14-21(31-3)18-23(22)19-9-6-5-7-10-19;1-15-7-6-8-21-23(15)25(4)22-14-17(9-12-20(22)24(21)3)19-11-10-18(26-5)13-16(19)2/h7-20H,6H2,1-5H3;10-18H,1-9H3;5-18H,1-4H3;6-14H,1-5H3
InChIKeyGPNQDBYHHOVLLX-UHFFFAOYSA-N
XLogP30.05
TPSA72.07 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001700.20
LogP ≤ 530.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine?
The IUPAC name of 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine (CID 158327048) is 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine.
What is the SMILES notation for 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine?
The canonical SMILES for 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine is CCOc1ccc(-c2ccc3c(c2)N(C(C)C)c2c(cccc2C(F)(F)F)N3C(C)C)c2ccccc12.COc1cc(C)c(-c2ccc3c(c2)N(C(C)C)c2c(C)ccc(C)c2N3C(C)C)cc1C.COc1ccc(-c2ccc3c(c2)N(C)c2c(C)cccc2N3C)c(C)c1.COc1ccc(-c2ccc3c(c2)N(C)c2c(OC)cccc2N3C)c(-c2ccccc2)c1.
What is the InChIKey of 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine?
The InChIKey is GPNQDBYHHOVLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F3N2O.C29H36N2O.C28H26N2O2.C23H24N2O/c1-6-37-29-17-15-22(23-10-7-8-11-24(23)29)21-14-16-26-28(18-21)36(20(4)5)30-25(31(32,33)34)12-9-13-27(30)35(26)19(2)3;1-17(2)30-25-13-12-23(24-14-22(8)27(32-9)15-21(24)7)16-26(25)31(18(3)4)29-20(6)11-10-19(5)28(29)30;1-29-24-16-13-20(17-26(24)30(2)28-25(29)11-8-12-27(28)32-4)22-15-14-21(31-3)18-23(22)19-9-6-5-7-10-19;1-15-7-6-8-21-23(15)25(4)22-14-17(9-12-20(22)24(21)3)19-11-10-18(26-5)13-16(19)2/h7-20H,6H2,1-5H3;10-18H,1-9H3;5-18H,1-4H3;6-14H,1-5H3.
What are the key properties of 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine?
8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine has a molecular weight of 1700.20 g/mol, XLogP of 30.05, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)-1-(trifluoromethyl)phenazine;7-(4-methoxy-2,5-dimethylphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;1-methoxy-8-(4-methoxy-2-phenylphenyl)-5,10-dimethylphenazine;8-(4-methoxy-2-methylphenyl)-1,5,10-trimethylphenazine is sourced from PubChem (CID 158327048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).