tris(7-ethyl-1H-indol-3-yl)methanol

C31H31N3O — CID 53315758

IUPACtris(7-ethyl-1H-indol-3-yl)methanol
SMILESCCc1cccc2c(C(O)(c3c[nH]c4c(CC)cccc34)c3c[nH]c4c(CC)cccc34)c[nH]c12
InChIInChI=1S/C31H31N3O/c1-4-19-10-7-13-22-25(16-32-28(19)22)31(35,26-17-33-29-20(5-2)11-8-14-23(26)29)27-18-34-30-21(6-3)12-9-15-24(27)30/h7-18,32-35H,4-6H2,1-3H3
InChIKeyWSKBJWVOGCALSS-UHFFFAOYSA-N
MW461.61 g/mol
LogP7.10
Rot. Bonds6

About tris(7-ethyl-1H-indol-3-yl)methanol

tris(7-ethyl-1H-indol-3-yl)methanol (PubChem CID 53315758) has the molecular formula C31H31N3O and a molecular weight of 461.61 g/mol. Its IUPAC name is tris(7-ethyl-1H-indol-3-yl)methanol.

Molecular Properties

Compound Nametris(7-ethyl-1H-indol-3-yl)methanol
PubChem CID53315758
Molecular FormulaC31H31N3O
Molecular Weight461.61 g/mol
Exact Mass461.25
IUPAC Nametris(7-ethyl-1H-indol-3-yl)methanol
SMILESCCc1cccc2c(C(O)(c3c[nH]c4c(CC)cccc34)c3c[nH]c4c(CC)cccc34)c[nH]c12
InChIInChI=1S/C31H31N3O/c1-4-19-10-7-13-22-25(16-32-28(19)22)31(35,26-17-33-29-20(5-2)11-8-14-23(26)29)27-18-34-30-21(6-3)12-9-15-24(27)30/h7-18,32-35H,4-6H2,1-3H3
InChIKeyWSKBJWVOGCALSS-UHFFFAOYSA-N
XLogP7.10
TPSA67.60 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 57.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tris(7-ethyl-1H-indol-3-yl)methanol?
The IUPAC name of tris(7-ethyl-1H-indol-3-yl)methanol (CID 53315758) is tris(7-ethyl-1H-indol-3-yl)methanol.
What is the SMILES notation for tris(7-ethyl-1H-indol-3-yl)methanol?
The canonical SMILES for tris(7-ethyl-1H-indol-3-yl)methanol is CCc1cccc2c(C(O)(c3c[nH]c4c(CC)cccc34)c3c[nH]c4c(CC)cccc34)c[nH]c12.
What is the InChIKey of tris(7-ethyl-1H-indol-3-yl)methanol?
The InChIKey is WSKBJWVOGCALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O/c1-4-19-10-7-13-22-25(16-32-28(19)22)31(35,26-17-33-29-20(5-2)11-8-14-23(26)29)27-18-34-30-21(6-3)12-9-15-24(27)30/h7-18,32-35H,4-6H2,1-3H3.
What are the key properties of tris(7-ethyl-1H-indol-3-yl)methanol?
tris(7-ethyl-1H-indol-3-yl)methanol has a molecular weight of 461.61 g/mol, XLogP of 7.10, 6 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(7-ethyl-1H-indol-3-yl)methanol is sourced from PubChem (CID 53315758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).