5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene

C29H24Se — CID 53343278

IUPAC5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene
SMILESCc1ccc(Cc2cc(-c3ccc(C)cc3)[se]c2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H24Se/c1-20-7-11-22(12-8-20)17-27-19-28(24-13-9-21(2)10-14-24)30-29(27)26-16-15-23-5-3-4-6-25(23)18-26/h3-16,18-19H,17H2,1-2H3
InChIKeyVTHHHZIRHBBTKP-UHFFFAOYSA-N
MW451.47 g/mol
LogP7.44
Rot. Bonds4

About 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene

5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene (PubChem CID 53343278) has the molecular formula C29H24Se and a molecular weight of 451.47 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene
PubChem CID53343278
Molecular FormulaC29H24Se
Molecular Weight451.47 g/mol
Exact Mass452.10
IUPAC Name5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene
SMILESCc1ccc(Cc2cc(-c3ccc(C)cc3)[se]c2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H24Se/c1-20-7-11-22(12-8-20)17-27-19-28(24-13-9-21(2)10-14-24)30-29(27)26-16-15-23-5-3-4-6-25(23)18-26/h3-16,18-19H,17H2,1-2H3
InChIKeyVTHHHZIRHBBTKP-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.47
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
2-[(4-methylphenyl)methyl]-5-naphthalen-2-yl-1,3,4-oxadiazole
CID 142315891
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
2-[4-[(4-methylphenyl)methyl]phenyl]sulfonylnaphthalene
CID 54552474
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
1-methyl-4-[[2-[[2-[(4-methylphenyl)methyl]phenyl]methoxymethyl]phenyl]methyl]benzene
CID 67814336
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
CID 145465634
2-methylnaphthalene;1,2-xylene
CID 142041411
2-methylnaphthalene;dihydrate
CID 174912803

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene?
The IUPAC name of 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene (CID 53343278) is 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene.
What is the SMILES notation for 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene?
The canonical SMILES for 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene is Cc1ccc(Cc2cc(-c3ccc(C)cc3)[se]c2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene?
The InChIKey is VTHHHZIRHBBTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Se/c1-20-7-11-22(12-8-20)17-27-19-28(24-13-9-21(2)10-14-24)30-29(27)26-16-15-23-5-3-4-6-25(23)18-26/h3-16,18-19H,17H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene?
5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene has a molecular weight of 451.47 g/mol, XLogP of 7.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[(4-methylphenyl)methyl]-2-naphthalen-2-ylselenophene is sourced from PubChem (CID 53343278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).