4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine

C52H43NO — CID 174333356

IUPAC4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine
SMILESC=C(C)C(Oc1cccc(-c2c(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)ccc3ccccc23)c1C)c1cc(C)cc(C)c1
InChIInChI=1S/C52H43NO/c1-34(2)52(44-29-35(3)28-36(4)30-44)54-50-25-15-24-45(37(50)5)51-46-23-13-12-16-38(46)26-27-47(51)42-22-14-21-41(31-42)43-32-48(39-17-8-6-9-18-39)53-49(33-43)40-19-10-7-11-20-40/h6-33,52H,1H2,2-5H3
InChIKeyPQWVTBASDIKNEF-UHFFFAOYSA-N
MW697.92 g/mol
LogP14.19
Rot. Bonds9

About 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine

4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine (PubChem CID 174333356) has the molecular formula C52H43NO and a molecular weight of 697.92 g/mol. Its IUPAC name is 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine
PubChem CID174333356
Molecular FormulaC52H43NO
Molecular Weight697.92 g/mol
Exact Mass697.33
IUPAC Name4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine
SMILESC=C(C)C(Oc1cccc(-c2c(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)ccc3ccccc23)c1C)c1cc(C)cc(C)c1
InChIInChI=1S/C52H43NO/c1-34(2)52(44-29-35(3)28-36(4)30-44)54-50-25-15-24-45(37(50)5)51-46-23-13-12-16-38(46)26-27-47(51)42-22-14-21-41(31-42)43-32-48(39-17-8-6-9-18-39)53-49(33-43)40-19-10-7-11-20-40/h6-33,52H,1H2,2-5H3
InChIKeyPQWVTBASDIKNEF-UHFFFAOYSA-N
XLogP14.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.92
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenyl)-5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]benzo[g][1,3]benzothiazole
CID 174334851
5-[3-[2-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2-methyl-1,3-benzoxazole
CID 174334084
5-[1-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]-2-methyl-1,3-benzoxazole
CID 174333209
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
4-(3,5-diphenylphenyl)-2-methyl-6-(4-naphthalen-1-ylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 161366762
2-[3-[3-(2,6-diphenyl-4-pyridinyl)-5-naphthalen-1-ylphenyl]phenyl]-4,6-dimethylpyrimidine
CID 129292630
4-(3,5-dimethylphenyl)-2,6-diphenylpyridine
CID 132529641
13-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445662
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
6-[3-[1-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-2-(3-phenylphenyl)-1,3-benzothiazole
CID 174334636
2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 145414946
4-[4-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168778143

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine?
The IUPAC name of 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine (CID 174333356) is 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine.
What is the SMILES notation for 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine?
The canonical SMILES for 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine is C=C(C)C(Oc1cccc(-c2c(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c3)ccc3ccccc23)c1C)c1cc(C)cc(C)c1.
What is the InChIKey of 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine?
The InChIKey is PQWVTBASDIKNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43NO/c1-34(2)52(44-29-35(3)28-36(4)30-44)54-50-25-15-24-45(37(50)5)51-46-23-13-12-16-38(46)26-27-47(51)42-22-14-21-41(31-42)43-32-48(39-17-8-6-9-18-39)53-49(33-43)40-19-10-7-11-20-40/h6-33,52H,1H2,2-5H3.
What are the key properties of 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine?
4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine has a molecular weight of 697.92 g/mol, XLogP of 14.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[3-[1-(3,5-dimethylphenyl)-2-methylprop-2-enoxy]-2-methylphenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyridine is sourced from PubChem (CID 174333356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).