4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid

C44H29N3O2 — CID 176669029

IUPAC4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1
InChIInChI=1S/C44H29N3O2/c48-44(49)31-26-24-30(25-27-31)37-28-36(34-17-10-13-29-12-4-5-16-33(29)34)35-18-11-23-42(43(35)45-37)47-40-21-8-6-19-38(40)46(32-14-2-1-3-15-32)39-20-7-9-22-41(39)47/h1-28H,(H,48,49)
InChIKeyMEEBRFKZJJOYHJ-UHFFFAOYSA-N
MW631.74 g/mol
LogP11.67
Rot. Bonds5

About 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid

4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid (PubChem CID 176669029) has the molecular formula C44H29N3O2 and a molecular weight of 631.74 g/mol. Its IUPAC name is 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid
PubChem CID176669029
Molecular FormulaC44H29N3O2
Molecular Weight631.74 g/mol
Exact Mass631.23
IUPAC Name4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1
InChIInChI=1S/C44H29N3O2/c48-44(49)31-26-24-30(25-27-31)37-28-36(34-17-10-13-29-12-4-5-16-33(29)34)35-18-11-23-42(43(35)45-37)47-40-21-8-6-19-38(40)46(32-14-2-1-3-15-32)39-20-7-9-22-41(39)47/h1-28H,(H,48,49)
InChIKeyMEEBRFKZJJOYHJ-UHFFFAOYSA-N
XLogP11.67
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 511.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-naphthalen-1-yl-2-[4-(trifluoromethyl)phenyl]quinolin-8-yl]-10-phenylphenazine
CID 176668846
ethyl 4-[5-methyl-4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoate
CID 176668908
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
4-naphthalen-1-ylbenzoic acid
CID 2760151
5-[4-(3,5-dimethoxyphenyl)-2-(4-fluorophenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668899
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
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
4-(4-naphthalen-1-yltriazol-1-yl)benzoic acid
CID 66616177
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
10-[2-(4-fluorophenyl)-4-phenylquinolin-8-yl]phenothiazine
CID 176669074
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216057

Frequently Asked Questions

What is the IUPAC name of 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid?
The IUPAC name of 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid (CID 176669029) is 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid.
What is the SMILES notation for 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid?
The canonical SMILES for 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid is O=C(O)c1ccc(-c2cc(-c3cccc4ccccc34)c3cccc(N4c5ccccc5N(c5ccccc5)c5ccccc54)c3n2)cc1.
What is the InChIKey of 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid?
The InChIKey is MEEBRFKZJJOYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O2/c48-44(49)31-26-24-30(25-27-31)37-28-36(34-17-10-13-29-12-4-5-16-33(29)34)35-18-11-23-42(43(35)45-37)47-40-21-8-6-19-38(40)46(32-14-2-1-3-15-32)39-20-7-9-22-41(39)47/h1-28H,(H,48,49).
What are the key properties of 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid?
4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid has a molecular weight of 631.74 g/mol, XLogP of 11.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-naphthalen-1-yl-8-(10-phenylphenazin-5-yl)quinolin-2-yl]benzoic acid is sourced from PubChem (CID 176669029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).