ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol

C108H112N8O12 — CID 159445993

IUPACethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol
SMILESCCO.CCO.CCO.CCO.CO.CO.CO.CO.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1
InChIInChI=1S/4C24H18N2O.4C2H6O.4CH4O/c4*1-3-9-17(10-4-1)23-24(18-11-5-2-6-12-18)27-22(26-23)15-19-16-25-21-14-8-7-13-20(19)21;4*1-2-3;4*1-2/h4*1-14,16,25H,15H2;4*3H,2H2,1H3;4*2H,1H3
InChIKeyLSTQQVUTQZLFOX-UHFFFAOYSA-N
MW1714.13 g/mol
LogP22.75
Rot. Bonds16

About ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol

ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol (PubChem CID 159445993) has the molecular formula C108H112N8O12 and a molecular weight of 1714.13 g/mol. Its IUPAC name is ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol.

Molecular Properties

Compound Nameethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol
PubChem CID159445993
Molecular FormulaC108H112N8O12
Molecular Weight1714.13 g/mol
Exact Mass1712.84
IUPAC Nameethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol
SMILESCCO.CCO.CCO.CCO.CO.CO.CO.CO.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1
InChIInChI=1S/4C24H18N2O.4C2H6O.4CH4O/c4*1-3-9-17(10-4-1)23-24(18-11-5-2-6-12-18)27-22(26-23)15-19-16-25-21-14-8-7-13-20(19)21;4*1-2-3;4*1-2/h4*1-14,16,25H,15H2;4*3H,2H2,1H3;4*2H,1H3
InChIKeyLSTQQVUTQZLFOX-UHFFFAOYSA-N
XLogP22.75
TPSA329.12 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001714.13
LogP ≤ 522.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol?
The IUPAC name of ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol (CID 159445993) is ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol.
What is the SMILES notation for ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol?
The canonical SMILES for ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol is CCO.CCO.CCO.CCO.CO.CO.CO.CO.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.c1ccc(-c2nc(Cc3c[nH]c4ccccc34)oc2-c2ccccc2)cc1.
What is the InChIKey of ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol?
The InChIKey is LSTQQVUTQZLFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H18N2O.4C2H6O.4CH4O/c4*1-3-9-17(10-4-1)23-24(18-11-5-2-6-12-18)27-22(26-23)15-19-16-25-21-14-8-7-13-20(19)21;4*1-2-3;4*1-2/h4*1-14,16,25H,15H2;4*3H,2H2,1H3;4*2H,1H3.
What are the key properties of ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol?
ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol has a molecular weight of 1714.13 g/mol, XLogP of 22.75, 16 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;tetrakis(2-(1H-indol-3-ylmethyl)-4,5-diphenyl-1,3-oxazole);methanol is sourced from PubChem (CID 159445993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).