tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane

C38H62N2OSn2 — CID 86095429

IUPACtributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2nnc(-c3ccc([Sn](CCCC)(CCCC)CCCC)cc3)o2)cc1
InChIInChI=1S/C14H8N2O.6C4H9.2Sn/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;6*1-3-4-2;;/h3-10H;6*1,3-4H2,2H3;;
InChIKeyDKHWPGYKVXFNQD-UHFFFAOYSA-N
MW800.35 g/mol
LogP11.52
Rot. Bonds22

About tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane

tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane (PubChem CID 86095429) has the molecular formula C38H62N2OSn2 and a molecular weight of 800.35 g/mol. Its IUPAC name is tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane.

Molecular Properties

Compound Nametributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane
PubChem CID86095429
Molecular FormulaC38H62N2OSn2
Molecular Weight800.35 g/mol
Exact Mass802.29
IUPAC Nametributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(-c2nnc(-c3ccc([Sn](CCCC)(CCCC)CCCC)cc3)o2)cc1
InChIInChI=1S/C14H8N2O.6C4H9.2Sn/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;6*1-3-4-2;;/h3-10H;6*1,3-4H2,2H3;;
InChIKeyDKHWPGYKVXFNQD-UHFFFAOYSA-N
XLogP11.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.35
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane with MolForge

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Related Compounds

2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
2-(4-octylphenyl)-5-[6-[5-(4-octylphenyl)-1,3,4-oxadiazol-2-yl]-1,2,4,5-tetrazin-3-yl]-1,3,4-oxadiazole
CID 10651109
2-(4-butylphenyl)-5-[3-[5-(4-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 59935127
2-(4-bromophenyl)-5-(4-octylphenyl)-1,3,4-oxadiazole
CID 23522268
tributyl-(2-phenyl-1,3-oxazol-5-yl)stannane
CID 10646461
N-methyl-4-(6-tributylstannyl-1,3-benzoxazol-2-yl)aniline
CID 20625606
2-[4-(4-butyliodanuidylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 143808738
2-(4-methylphenyl)-5-nonyl-1,3,4-oxadiazole
CID 102384865
2-(4-octoxyphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 139201252

Frequently Asked Questions

What is the IUPAC name of tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane?
The IUPAC name of tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane (CID 86095429) is tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane.
What is the SMILES notation for tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane?
The canonical SMILES for tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(-c2nnc(-c3ccc([Sn](CCCC)(CCCC)CCCC)cc3)o2)cc1.
What is the InChIKey of tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane?
The InChIKey is DKHWPGYKVXFNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O.6C4H9.2Sn/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;6*1-3-4-2;;/h3-10H;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane?
tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane has a molecular weight of 800.35 g/mol, XLogP of 11.52, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-[5-(4-tributylstannylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]stannane is sourced from PubChem (CID 86095429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).