tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane

C27H27BiO6 — CID 45158487

IUPACtris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane
SMILESc1cc([Bi](c2ccc(C3OCCO3)cc2)c2ccc(C3OCCO3)cc2)ccc1C1OCCO1
InChIInChI=1S/3C9H9O2.Bi/c3*1-2-4-8(5-3-1)9-10-6-7-11-9;/h3*2-5,9H,6-7H2;
InChIKeyYSEHIYNTIZFNLZ-UHFFFAOYSA-N
MW656.49 g/mol
LogP2.34
Rot. Bonds6

About tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane

tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane (PubChem CID 45158487) has the molecular formula C27H27BiO6 and a molecular weight of 656.49 g/mol. Its IUPAC name is tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane.

Molecular Properties

Compound Nametris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane
PubChem CID45158487
Molecular FormulaC27H27BiO6
Molecular Weight656.49 g/mol
Exact Mass656.16
IUPAC Nametris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane
SMILESc1cc([Bi](c2ccc(C3OCCO3)cc2)c2ccc(C3OCCO3)cc2)ccc1C1OCCO1
InChIInChI=1S/3C9H9O2.Bi/c3*1-2-4-8(5-3-1)9-10-6-7-11-9;/h3*2-5,9H,6-7H2;
InChIKeyYSEHIYNTIZFNLZ-UHFFFAOYSA-N
XLogP2.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-dioxolan-2-yl)-N-[4-(1,3-dioxolan-2-yl)phenyl]aniline
CID 86258852
2-[4-(dibromomethyl)phenyl]-1,3-dioxolane
CID 139917470
2-[4-(difluoromethyl)phenyl]-1,3-dioxolane
CID 138980395
2-[4-(1,3-dioxolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 24874395
1-[4-(1,3-dioxolan-2-yl)phenyl]piperidine
CID 24806102
2-[4-[(E)-2-phenylethenyl]phenyl]-1,3-dioxolane
CID 170873890
bromo-[4-(1,3-dioxolan-2-yl)phenyl]methanol
CID 139917472
2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine
CID 54217191
4-(1,3-dioxolan-2-yl)-1-oxidopyridin-1-ium
CID 55255748
[4-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
CID 24726701
2-(4-bromophenyl)-1,3-dioxolane;[4-(1,3-dioxolan-2-yl)phenyl]-trimethylstannane
CID 158283209
2-[4-(1,3-dioxan-2-yl)phenyl]ethanol
CID 45117158

Frequently Asked Questions

What is the IUPAC name of tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane?
The IUPAC name of tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane (CID 45158487) is tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane.
What is the SMILES notation for tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane?
The canonical SMILES for tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane is c1cc([Bi](c2ccc(C3OCCO3)cc2)c2ccc(C3OCCO3)cc2)ccc1C1OCCO1.
What is the InChIKey of tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane?
The InChIKey is YSEHIYNTIZFNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H9O2.Bi/c3*1-2-4-8(5-3-1)9-10-6-7-11-9;/h3*2-5,9H,6-7H2;.
What are the key properties of tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane?
tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane has a molecular weight of 656.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-(1,3-dioxolan-2-yl)phenyl]bismuthane is sourced from PubChem (CID 45158487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).