ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate

C47H35N3O2 — CID 176668908

IUPACethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2cc(-c3cccc4ccccc34)c3c(C)ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1
InChIInChI=1S/C47H35N3O2/c1-3-52-47(51)34-27-25-33(26-28-34)39-30-38(37-19-13-15-32-14-7-8-18-36(32)37)45-31(2)24-29-44(46(45)48-39)50-42-22-11-9-20-40(42)49(35-16-5-4-6-17-35)41-21-10-12-23-43(41)50/h4-30H,3H2,1-2H3
InChIKeyRXOBPTJGFTZDTG-UHFFFAOYSA-N
MW673.82 g/mol
LogP12.46
Rot. Bonds6

About ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate

ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate (PubChem CID 176668908) has the molecular formula C47H35N3O2 and a molecular weight of 673.82 g/mol. Its IUPAC name is ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate
PubChem CID176668908
Molecular FormulaC47H35N3O2
Molecular Weight673.82 g/mol
Exact Mass673.27
IUPAC Nameethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate
SMILESCCOC(=O)c1ccc(-c2cc(-c3cccc4ccccc34)c3c(C)ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1
InChIInChI=1S/C47H35N3O2/c1-3-52-47(51)34-27-25-33(26-28-34)39-30-38(37-19-13-15-32-14-7-8-18-36(32)37)45-31(2)24-29-44(46(45)48-39)50-42-22-11-9-20-40(42)49(35-16-5-4-6-17-35)41-21-10-12-23-43(41)50/h4-30H,3H2,1-2H3
InChIKeyRXOBPTJGFTZDTG-UHFFFAOYSA-N
XLogP12.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[2-(4-fluorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176669028
10-[2-(4-chlorophenyl)-5-methyl-4-naphthalen-1-ylquinolin-8-yl]phenoxazine
CID 176668733
5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668846
4-[4-(4-methoxyphenyl)-5-methyl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzonitrile
CID 176668684
methyl 4-[4-(4-tert-butylphenyl)-5-methyl-8-phenoxazin-10-ylquinolin-2-yl]benzoate
CID 176668849
5-[2-(4-fluorophenyl)-5-methyl-4-thiophen-2-ylquinolin-8-yl]-10-phenylphenazine
CID 176668683
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
ethyl 4-(4-ethoxycarbonylphenyl)-5-naphthalen-1-ylfuran-3-carboxylate
CID 71500674
[2-(4-fluorophenyl)-2-oxoethyl] 2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate
CID 3607837
ethyl 8-methyl-2-phenylquinoline-6-carboxylate
CID 164676553
ethyl 2-(4-fluorophenyl)benzo[h]quinoline-4-carboxylate
CID 135023475
14-(4,6-diphenylpyrimidin-2-yl)-25-phenyl-18,25-diazaheptacyclo[16.11.1.02,11.03,8.012,17.019,24.026,30]triaconta-1(30),2(11),3,5,7,9,12(17),13,15,19,21,23,26,28-tetradecaene
CID 155183191

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate?
The IUPAC name of ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate (CID 176668908) is ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate?
The canonical SMILES for ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate is CCOC(=O)c1ccc(-c2cc(-c3cccc4ccccc34)c3c(C)ccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1.
What is the InChIKey of ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate?
The InChIKey is RXOBPTJGFTZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O2/c1-3-52-47(51)34-27-25-33(26-28-34)39-30-38(37-19-13-15-32-14-7-8-18-36(32)37)45-31(2)24-29-44(46(45)48-39)50-42-22-11-9-20-40(42)49(35-16-5-4-6-17-35)41-21-10-12-23-43(41)50/h4-30H,3H2,1-2H3.
What are the key properties of ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate?
ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate has a molecular weight of 673.82 g/mol, XLogP of 12.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate is sourced from PubChem (CID 176668908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).