5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine

C43H35N3O4S — CID 176669093

IUPAC5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C43H35N3O4S/c1-28-18-23-41(46-39-16-10-8-14-37(39)45(31-12-6-5-7-13-31)38-15-9-11-17-40(38)46)43-42(28)35(30-24-32(49-2)26-33(25-30)50-3)27-36(44-43)29-19-21-34(22-20-29)51(4,47)48/h5-27H,1-4H3
InChIKeyJDYBUUSYAQETQD-UHFFFAOYSA-N
MW689.84 g/mol
LogP10.55
Rot. Bonds7

About 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine

5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine (PubChem CID 176669093) has the molecular formula C43H35N3O4S and a molecular weight of 689.84 g/mol. Its IUPAC name is 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine
PubChem CID176669093
Molecular FormulaC43H35N3O4S
Molecular Weight689.84 g/mol
Exact Mass689.23
IUPAC Name5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)c1
InChIInChI=1S/C43H35N3O4S/c1-28-18-23-41(46-39-16-10-8-14-37(39)45(31-12-6-5-7-13-31)38-15-9-11-17-40(38)46)43-42(28)35(30-24-32(49-2)26-33(25-30)50-3)27-36(44-43)29-19-21-34(22-20-29)51(4,47)48/h5-27H,1-4H3
InChIKeyJDYBUUSYAQETQD-UHFFFAOYSA-N
XLogP10.55
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.84
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine?
The IUPAC name of 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine (CID 176669093) is 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine?
The canonical SMILES for 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine is COc1cc(OC)cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)c1.
What is the InChIKey of 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine?
The InChIKey is JDYBUUSYAQETQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3O4S/c1-28-18-23-41(46-39-16-10-8-14-37(39)45(31-12-6-5-7-13-31)38-15-9-11-17-40(38)46)43-42(28)35(30-24-32(49-2)26-33(25-30)50-3)27-36(44-43)29-19-21-34(22-20-29)51(4,47)48/h5-27H,1-4H3.
What are the key properties of 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine?
5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine has a molecular weight of 689.84 g/mol, XLogP of 10.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine is sourced from PubChem (CID 176669093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).