(4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane

C24H21BiO — CID 14947843

IUPAC(4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane
SMILESCOc1ccc([Bi](c2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C10H7.C7H7O.C7H7.Bi/c1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;/h1-7H;3-6H,1H3;3-6H,1H3;
InChIKeyJJWPCKRIAPXLFC-UHFFFAOYSA-N
MW534.41 g/mol
LogP3.67
Rot. Bonds4

About (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane

(4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane (PubChem CID 14947843) has the molecular formula C24H21BiO and a molecular weight of 534.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane
PubChem CID14947843
Molecular FormulaC24H21BiO
Molecular Weight534.41 g/mol
Exact Mass534.14
IUPAC Name(4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane
SMILESCOc1ccc([Bi](c2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C10H7.C7H7O.C7H7.Bi/c1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;/h1-7H;3-6H,1H3;3-6H,1H3;
InChIKeyJJWPCKRIAPXLFC-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-methoxy-4-methylbenzene;propane
CID 142064987
methoxymethane;1-methoxy-4-[(4-methylphenyl)methyl]benzene;naphthalene
CID 90734985
methane;1-methoxy-4-methylbenzene;propane;1,2-xylene
CID 158575939
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
1,2-dichlorobenzene;1-methoxy-4-methylbenzene
CID 158750380
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
1-methoxy-4-methylbenzene;phenol
CID 167630836
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
(4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane
CID 166511638
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane?
The IUPAC name of (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane (CID 14947843) is (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane.
What is the SMILES notation for (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane?
The canonical SMILES for (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane is COc1ccc([Bi](c2ccc(C)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane?
The InChIKey is JJWPCKRIAPXLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7.C7H7O.C7H7.Bi/c1-2-6-10-8-4-3-7-9(10)5-1;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7;/h1-7H;3-6H,1H3;3-6H,1H3;.
What are the key properties of (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane?
(4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane has a molecular weight of 534.41 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-methylphenyl)-naphthalen-1-ylbismuthane is sourced from PubChem (CID 14947843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).