tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate

C36H24N4O8Sn — CID 141350104

IUPACtris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate
SMILESO=C(O[Sn](OC(=O)c1c[nH]c2ccccc12)(OC(=O)c1c[nH]c2ccccc12)OC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/4C9H7NO2.Sn/c4*11-9(12)7-5-10-8-4-2-1-3-6(7)8;/h4*1-5,10H,(H,11,12);/q;;;;+4/p-4
InChIKeyZWOKVDRUBPTWSK-UHFFFAOYSA-J
MW759.32 g/mol
LogP6.78
Rot. Bonds8

About tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate

tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate (PubChem CID 141350104) has the molecular formula C36H24N4O8Sn and a molecular weight of 759.32 g/mol. Its IUPAC name is tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Nametris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate
PubChem CID141350104
Molecular FormulaC36H24N4O8Sn
Molecular Weight759.32 g/mol
Exact Mass760.06
IUPAC Nametris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate
SMILESO=C(O[Sn](OC(=O)c1c[nH]c2ccccc12)(OC(=O)c1c[nH]c2ccccc12)OC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/4C9H7NO2.Sn/c4*11-9(12)7-5-10-8-4-2-1-3-6(7)8;/h4*1-5,10H,(H,11,12);/q;;;;+4/p-4
InChIKeyZWOKVDRUBPTWSK-UHFFFAOYSA-J
XLogP6.78
TPSA168.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.32
LogP ≤ 56.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(1R,7aS)-hexahydro-1H-pyrrolizin-1-ylmethyl 1-Methyl-1Hindole-3-carboxylate
CID 44407083
Indole-3-carboxylate
CID 6932058
3-[[6-(1H-indol-6-yl)-1H-indol-3-yl]methyl]benzoic acid
CID 90682164
DIM-C-pPhCO2Me
CID 15637614
3-[[5-[3-[(3-methoxycarbonylphenyl)methyl]-1H-indol-5-yl]-1H-indol-3-yl]methyl]benzoic acid
CID 90682161
benzotriazol-1-yl 1H-indole-3-carboxylate
CID 156018187
3-hydroxy-1-[3-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]propyl]-3-(1H-indol-3-yl)indol-2-one
CID 168272565
3-hydroxy-1-[5-[3-hydroxy-3-(1H-indol-3-yl)-2-oxoindol-1-yl]pentyl]-3-(1H-indol-3-yl)indol-2-one
CID 168296995
2-(1H-Indole-3-carboxamido)benzoic acid
CID 28370180
2-[2-(1H-indol-3-yl)ethylamino]benzoic acid
CID 170655490
(3-Indolylmethylene)anthranilic acid
CID 3056537
CID 129009981
CID 129009981

Frequently Asked Questions

What is the IUPAC name of tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate?
The IUPAC name of tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate (CID 141350104) is tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate.
What is the SMILES notation for tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate?
The canonical SMILES for tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate is O=C(O[Sn](OC(=O)c1c[nH]c2ccccc12)(OC(=O)c1c[nH]c2ccccc12)OC(=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate?
The InChIKey is ZWOKVDRUBPTWSK-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H7NO2.Sn/c4*11-9(12)7-5-10-8-4-2-1-3-6(7)8;/h4*1-5,10H,(H,11,12);/q;;;;+4/p-4.
What are the key properties of tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate?
tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate has a molecular weight of 759.32 g/mol, XLogP of 6.78, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-indole-3-carbonyloxy)stannyl 1H-indole-3-carboxylate is sourced from PubChem (CID 141350104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).