(4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane

C25H29BiO — CID 166511638

IUPAC(4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane
SMILESCOc1ccc([Bi](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/2C9H11.C7H7O.Bi/c2*1-7-4-8(2)6-9(3)5-7;1-8-7-5-3-2-4-6-7;/h2*4-5H,1-3H3;3-6H,1H3;
InChIKeySCFUXPZHZCMXMR-UHFFFAOYSA-N
MW554.49 g/mol
LogP4.06
Rot. Bonds4

About (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane

(4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane (PubChem CID 166511638) has the molecular formula C25H29BiO and a molecular weight of 554.49 g/mol. Its IUPAC name is (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane.

Molecular Properties

Compound Name(4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane
PubChem CID166511638
Molecular FormulaC25H29BiO
Molecular Weight554.49 g/mol
Exact Mass554.20
IUPAC Name(4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane
SMILESCOc1ccc([Bi](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/2C9H11.C7H7O.Bi/c2*1-7-4-8(2)6-9(3)5-7;1-8-7-5-3-2-4-6-7;/h2*4-5H,1-3H3;3-6H,1H3;
InChIKeySCFUXPZHZCMXMR-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane?
The IUPAC name of (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane (CID 166511638) is (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane.
What is the SMILES notation for (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane?
The canonical SMILES for (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane is COc1ccc([Bi](c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane?
The InChIKey is SCFUXPZHZCMXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.C7H7O.Bi/c2*1-7-4-8(2)6-9(3)5-7;1-8-7-5-3-2-4-6-7;/h2*4-5H,1-3H3;3-6H,1H3;.
What are the key properties of (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane?
(4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane has a molecular weight of 554.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-bis(2,4,6-trimethylphenyl)bismuthane is sourced from PubChem (CID 166511638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).