diacetyloxy(trinaphthalen-1-yl)bismuth

C34H27BiO4 — CID 16687153

IUPACdiacetyloxy(trinaphthalen-1-yl)bismuth
SMILESCC(=O)O[Bi](OC(C)=O)(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/3C10H7.2C2H4O2.Bi/c3*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2(3)4;/h3*1-7H;2*1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyPUJGGDCXKVXFMP-UHFFFAOYSA-L
MW708.57 g/mol
LogP5.69
Rot. Bonds5

About diacetyloxy(trinaphthalen-1-yl)bismuth

diacetyloxy(trinaphthalen-1-yl)bismuth (PubChem CID 16687153) has the molecular formula C34H27BiO4 and a molecular weight of 708.57 g/mol. Its IUPAC name is diacetyloxy(trinaphthalen-1-yl)bismuth.

Molecular Properties

Compound Namediacetyloxy(trinaphthalen-1-yl)bismuth
PubChem CID16687153
Molecular FormulaC34H27BiO4
Molecular Weight708.57 g/mol
Exact Mass708.17
IUPAC Namediacetyloxy(trinaphthalen-1-yl)bismuth
SMILESCC(=O)O[Bi](OC(C)=O)(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/3C10H7.2C2H4O2.Bi/c3*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2(3)4;/h3*1-7H;2*1H3,(H,3,4);/q;;;;;+2/p-2
InChIKeyPUJGGDCXKVXFMP-UHFFFAOYSA-L
XLogP5.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.57
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diacetyloxy(trinaphthalen-1-yl)bismuth?
The IUPAC name of diacetyloxy(trinaphthalen-1-yl)bismuth (CID 16687153) is diacetyloxy(trinaphthalen-1-yl)bismuth.
What is the SMILES notation for diacetyloxy(trinaphthalen-1-yl)bismuth?
The canonical SMILES for diacetyloxy(trinaphthalen-1-yl)bismuth is CC(=O)O[Bi](OC(C)=O)(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of diacetyloxy(trinaphthalen-1-yl)bismuth?
The InChIKey is PUJGGDCXKVXFMP-UHFFFAOYSA-L. The full InChI is InChI=1S/3C10H7.2C2H4O2.Bi/c3*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2(3)4;/h3*1-7H;2*1H3,(H,3,4);/q;;;;;+2/p-2.
What are the key properties of diacetyloxy(trinaphthalen-1-yl)bismuth?
diacetyloxy(trinaphthalen-1-yl)bismuth has a molecular weight of 708.57 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diacetyloxy(trinaphthalen-1-yl)bismuth is sourced from PubChem (CID 16687153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).