4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile

C42H30N4O — CID 176668684

IUPAC4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(C#N)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C42H30N4O/c1-28-16-25-40(46-38-14-8-6-12-36(38)45(32-10-4-3-5-11-32)37-13-7-9-15-39(37)46)42-41(28)34(30-21-23-33(47-2)24-22-30)26-35(44-42)31-19-17-29(27-43)18-20-31/h3-26H,1-2H3
InChIKeyADVMYLRNSAYELG-UHFFFAOYSA-N
MW606.73 g/mol
LogP11.01
Rot. Bonds5

About 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile

4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile (PubChem CID 176668684) has the molecular formula C42H30N4O and a molecular weight of 606.73 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
PubChem CID176668684
Molecular FormulaC42H30N4O
Molecular Weight606.73 g/mol
Exact Mass606.24
IUPAC Name4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(C#N)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1
InChIInChI=1S/C42H30N4O/c1-28-16-25-40(46-38-14-8-6-12-36(38)45(32-10-4-3-5-11-32)37-13-7-9-15-39(37)46)42-41(28)34(30-21-23-33(47-2)24-22-30)26-35(44-42)31-19-17-29(27-43)18-20-31/h3-26H,1-2H3
InChIKeyADVMYLRNSAYELG-UHFFFAOYSA-N
XLogP11.01
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3,5-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176669093
10-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenoselenazine
CID 176668973
10-[2-(4-fluorophenyl)-4-(4-methoxyphenyl)-5-methylquinolin-8-yl]phenothiazine
CID 176668897
5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
CID 176668683
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
4-(8-phenoselenazin-10-yl-4-phenylquinolin-2-yl)benzonitrile
CID 176669075
10-[5-methyl-4-phenyl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]phenothiazine
CID 176668748
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439
methyl 4-[4-(4-tert-butylphenyl)-5-methyl-8-phenoxazin-10-ylquinolin-2-yl]benzoate
CID 176668849
4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile?
The IUPAC name of 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile (CID 176668684) is 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile is COc1ccc(-c2cc(-c3ccc(C#N)cc3)nc3c(N4c5ccccc5N(c5ccccc5)c5ccccc54)ccc(C)c23)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile?
The InChIKey is ADVMYLRNSAYELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O/c1-28-16-25-40(46-38-14-8-6-12-36(38)45(32-10-4-3-5-11-32)37-13-7-9-15-39(37)46)42-41(28)34(30-21-23-33(47-2)24-22-30)26-35(44-42)31-19-17-29(27-43)18-20-31/h3-26H,1-2H3.
What are the key properties of 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile?
4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile has a molecular weight of 606.73 g/mol, XLogP of 11.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile is sourced from PubChem (CID 176668684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).