diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole

C31H40N2O2Si — CID 159260544

IUPACdiethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole
SMILESCC.CC[Si](O)(CC)c1cc2ccccc2n1C.COc1ccc(-c2cc3ccccc3n2C)cc1
InChIInChI=1S/C16H15NO.C13H19NOSi.C2H6/c1-17-15-6-4-3-5-13(15)11-16(17)12-7-9-14(18-2)10-8-12;1-4-16(15,5-2)13-10-11-8-6-7-9-12(11)14(13)3;1-2/h3-11H,1-2H3;6-10,15H,4-5H2,1-3H3;1-2H3
InChIKeyKWLKVRNYACLGGV-UHFFFAOYSA-N
MW500.76 g/mol
LogP7.24
Rot. Bonds5

About diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole

diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole (PubChem CID 159260544) has the molecular formula C31H40N2O2Si and a molecular weight of 500.76 g/mol. Its IUPAC name is diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole.

Molecular Properties

Compound Namediethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole
PubChem CID159260544
Molecular FormulaC31H40N2O2Si
Molecular Weight500.76 g/mol
Exact Mass500.29
IUPAC Namediethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole
SMILESCC.CC[Si](O)(CC)c1cc2ccccc2n1C.COc1ccc(-c2cc3ccccc3n2C)cc1
InChIInChI=1S/C16H15NO.C13H19NOSi.C2H6/c1-17-15-6-4-3-5-13(15)11-16(17)12-7-9-14(18-2)10-8-12;1-4-16(15,5-2)13-10-11-8-6-7-9-12(11)14(13)3;1-2/h3-11H,1-2H3;6-10,15H,4-5H2,1-3H3;1-2H3
InChIKeyKWLKVRNYACLGGV-UHFFFAOYSA-N
XLogP7.24
TPSA39.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.76
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

diethyl-hydroxy-(1-methylindol-2-yl)silane
CID 140701808
benzene;1-methyl-2-phenylindole
CID 158316839
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
2-(4-methoxyphenyl)-1-methylindole-5-carbonitrile
CID 21432563
[4-(1-methylindol-2-yl)phenoxy]methyl prop-2-enoate
CID 153303390
3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 1233900
1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole
CID 54426716
2-methoxy-5-(1-methylindol-2-yl)benzaldehyde
CID 141069508
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 166443268
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
1-methylindole;bis(triethyl-(1-methylindol-2-yl)silane)
CID 159581011

Frequently Asked Questions

What is the IUPAC name of diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole?
The IUPAC name of diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole (CID 159260544) is diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole.
What is the SMILES notation for diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole?
The canonical SMILES for diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole is CC.CC[Si](O)(CC)c1cc2ccccc2n1C.COc1ccc(-c2cc3ccccc3n2C)cc1.
What is the InChIKey of diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole?
The InChIKey is KWLKVRNYACLGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO.C13H19NOSi.C2H6/c1-17-15-6-4-3-5-13(15)11-16(17)12-7-9-14(18-2)10-8-12;1-4-16(15,5-2)13-10-11-8-6-7-9-12(11)14(13)3;1-2/h3-11H,1-2H3;6-10,15H,4-5H2,1-3H3;1-2H3.
What are the key properties of diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole?
diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole has a molecular weight of 500.76 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hydroxy-(1-methylindol-2-yl)silane;ethane;2-(4-methoxyphenyl)-1-methylindole is sourced from PubChem (CID 159260544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).