3-tributylstannylbenzo[b]phenalen-7-one

C29H36OSn — CID 10984149

IUPAC3-tributylstannylbenzo[b]phenalen-7-one
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2c3c(cccc13)C(=O)c1ccccc1-2
InChIInChI=1S/C17H9O.3C4H9.Sn/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13;3*1-3-4-2;/h1-4,6-10H;3*1,3-4H2,2H3;
InChIKeyDUWCQCCFBGCGPS-UHFFFAOYSA-N
MW519.32 g/mol
LogP8.11
Rot. Bonds10

About 3-tributylstannylbenzo[b]phenalen-7-one

3-tributylstannylbenzo[b]phenalen-7-one (PubChem CID 10984149) has the molecular formula C29H36OSn and a molecular weight of 519.32 g/mol. Its IUPAC name is 3-tributylstannylbenzo[b]phenalen-7-one.

Molecular Properties

Compound Name3-tributylstannylbenzo[b]phenalen-7-one
PubChem CID10984149
Molecular FormulaC29H36OSn
Molecular Weight519.32 g/mol
Exact Mass520.18
IUPAC Name3-tributylstannylbenzo[b]phenalen-7-one
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc2c3c(cccc13)C(=O)c1ccccc1-2
InChIInChI=1S/C17H9O.3C4H9.Sn/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13;3*1-3-4-2;/h1-4,6-10H;3*1,3-4H2,2H3;
InChIKeyDUWCQCCFBGCGPS-UHFFFAOYSA-N
XLogP8.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.32
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-hydroxyethylamino)benzo[b]phenalen-7-one
CID 12007934
nonacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6,8,10,13,15,17,19,22,24,26,28(32),29,33-hexadecaene-12,21-dione
CID 8317
2-ethoxy-3-tributylstannylnaphthalene-1,4-dione
CID 15174825
3-nitrobenzo[b]phenalen-7-one
CID 2825690
benzo[a]phenalen-7-one;ethane
CID 90765972
anthracene-9,10-dione;propane
CID 162068050
CID 22956531
CID 22956531
anthracene-9,10-dione;benzo[a]phenalen-7-one
CID 157197753
(2-amino-2-oxoethyl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate
CID 4689514
[(7-oxobenzo[a]phenalen-3-yl)amino] hydrogen sulfate
CID 154699784
tributyl(dibenzofuran-4-yl)stannane
CID 10906594
tris(fluoren-9-one);methane;methanol;propane
CID 158940113

Frequently Asked Questions

What is the IUPAC name of 3-tributylstannylbenzo[b]phenalen-7-one?
The IUPAC name of 3-tributylstannylbenzo[b]phenalen-7-one (CID 10984149) is 3-tributylstannylbenzo[b]phenalen-7-one.
What is the SMILES notation for 3-tributylstannylbenzo[b]phenalen-7-one?
The canonical SMILES for 3-tributylstannylbenzo[b]phenalen-7-one is CCCC[Sn](CCCC)(CCCC)c1ccc2c3c(cccc13)C(=O)c1ccccc1-2.
What is the InChIKey of 3-tributylstannylbenzo[b]phenalen-7-one?
The InChIKey is DUWCQCCFBGCGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9O.3C4H9.Sn/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13;3*1-3-4-2;/h1-4,6-10H;3*1,3-4H2,2H3;.
What are the key properties of 3-tributylstannylbenzo[b]phenalen-7-one?
3-tributylstannylbenzo[b]phenalen-7-one has a molecular weight of 519.32 g/mol, XLogP of 8.11, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tributylstannylbenzo[b]phenalen-7-one is sourced from PubChem (CID 10984149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).