tris(1-ethylindol-3-yl)methanol

C31H31N3O — CID 142757847

IUPACtris(1-ethylindol-3-yl)methanol
SMILESCCn1cc(C(O)(c2cn(CC)c3ccccc23)c2cn(CC)c3ccccc23)c2ccccc21
InChIInChI=1S/C31H31N3O/c1-4-32-19-25(22-13-7-10-16-28(22)32)31(35,26-20-33(5-2)29-17-11-8-14-23(26)29)27-21-34(6-3)30-18-12-9-15-24(27)30/h7-21,35H,4-6H2,1-3H3
InChIKeyXRMBALHQARNSTA-UHFFFAOYSA-N
MW461.61 g/mol
LogP6.89
Rot. Bonds6

About tris(1-ethylindol-3-yl)methanol

tris(1-ethylindol-3-yl)methanol (PubChem CID 142757847) has the molecular formula C31H31N3O and a molecular weight of 461.61 g/mol. Its IUPAC name is tris(1-ethylindol-3-yl)methanol.

Molecular Properties

Compound Nametris(1-ethylindol-3-yl)methanol
PubChem CID142757847
Molecular FormulaC31H31N3O
Molecular Weight461.61 g/mol
Exact Mass461.25
IUPAC Nametris(1-ethylindol-3-yl)methanol
SMILESCCn1cc(C(O)(c2cn(CC)c3ccccc23)c2cn(CC)c3ccccc23)c2ccccc21
InChIInChI=1S/C31H31N3O/c1-4-32-19-25(22-13-7-10-16-28(22)32)31(35,26-20-33(5-2)29-17-11-8-14-23(26)29)27-21-34(6-3)30-18-12-9-15-24(27)30/h7-21,35H,4-6H2,1-3H3
InChIKeyXRMBALHQARNSTA-UHFFFAOYSA-N
XLogP6.89
TPSA35.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-propylindole
CID 137421343
acetic acid;1-ethylindol-3-ol
CID 71405602
2-amino-1-(1-ethylindol-3-yl)-2-methylpropan-1-one;hydrochloride
CID 14069757
2-(1-ethylindol-3-yl)propanedioyl dichloride
CID 156786457
1-ethyl-3-(2-hydroxypropan-2-yl)indol-6-ol
CID 117122286
2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
CID 117118920
1-ethyl-3-phenylsulfanylindole
CID 126489260
(1S)-1-(1-ethylindol-3-yl)-N-methylethanamine
CID 124705704
(Z)-4-(1-ethylindol-3-yl)-1,1,1-trifluoro-4-hydroxybut-3-en-2-one
CID 139168536
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
2-(1-ethyl-7-methoxyindol-3-yl)propan-2-ol
CID 117197919
2-[3-(1,1-diphenylethyl)indol-1-yl]acetic acid
CID 58731253

Frequently Asked Questions

What is the IUPAC name of tris(1-ethylindol-3-yl)methanol?
The IUPAC name of tris(1-ethylindol-3-yl)methanol (CID 142757847) is tris(1-ethylindol-3-yl)methanol.
What is the SMILES notation for tris(1-ethylindol-3-yl)methanol?
The canonical SMILES for tris(1-ethylindol-3-yl)methanol is CCn1cc(C(O)(c2cn(CC)c3ccccc23)c2cn(CC)c3ccccc23)c2ccccc21.
What is the InChIKey of tris(1-ethylindol-3-yl)methanol?
The InChIKey is XRMBALHQARNSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O/c1-4-32-19-25(22-13-7-10-16-28(22)32)31(35,26-20-33(5-2)29-17-11-8-14-23(26)29)27-21-34(6-3)30-18-12-9-15-24(27)30/h7-21,35H,4-6H2,1-3H3.
What are the key properties of tris(1-ethylindol-3-yl)methanol?
tris(1-ethylindol-3-yl)methanol has a molecular weight of 461.61 g/mol, XLogP of 6.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-ethylindol-3-yl)methanol is sourced from PubChem (CID 142757847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).