cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone

C29H26N2O2 — CID 56851751

IUPACcyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCC6)c5c4)cc32)cc1
InChIInChI=1S/C29H26N2O2/c1-33-26-11-5-20(6-12-26)19-30-15-13-21-7-9-24(17-27(21)30)25-10-8-22-14-16-31(28(22)18-25)29(32)23-3-2-4-23/h5-18,23H,2-4,19H2,1H3
InChIKeyJIYCYFIDXDTZDQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.76
Rot. Bonds5

About cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone

cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone (PubChem CID 56851751) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone
PubChem CID56851751
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Namecyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone
SMILESCOc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCC6)c5c4)cc32)cc1
InChIInChI=1S/C29H26N2O2/c1-33-26-11-5-20(6-12-26)19-30-15-13-21-7-9-24(17-27(21)30)25-10-8-22-14-16-31(28(22)18-25)29(32)23-3-2-4-23/h5-18,23H,2-4,19H2,1H3
InChIKeyJIYCYFIDXDTZDQ-UHFFFAOYSA-N
XLogP6.76
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]-(2-methylphenyl)methanone
CID 56851767
5-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1,2-oxazol-3-one
CID 162366432
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
methyl 3-[[6-[1-(3-methoxybenzoyl)indol-6-yl]indol-1-yl]methyl]benzoate
CID 56851756
N-[2-(cyclohexylmethylamino)ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide
CID 68725984
methyl 3-[[6-(1-benzoylindol-6-yl)indol-1-yl]methyl]benzoate
CID 56851741
N'-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboximidamide
CID 162366396
1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-b]pyridine-5-carbonyl chloride
CID 165343915
6-(4-methoxyphenyl)-1-propylindole
CID 91452134
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
[1-[(4-nitrophenyl)methyl]indol-6-yl] acetate
CID 174506906
[1-[2-(4-methoxyphenyl)ethyl]indol-6-yl]methanol
CID 102913068

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone?
The IUPAC name of cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone (CID 56851751) is cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone?
The canonical SMILES for cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone is COc1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)C6CCC6)c5c4)cc32)cc1.
What is the InChIKey of cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone?
The InChIKey is JIYCYFIDXDTZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-33-26-11-5-20(6-12-26)19-30-15-13-21-7-9-24(17-27(21)30)25-10-8-22-14-16-31(28(22)18-25)29(32)23-3-2-4-23/h5-18,23H,2-4,19H2,1H3.
What are the key properties of cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone?
cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone has a molecular weight of 434.54 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[6-[1-[(4-methoxyphenyl)methyl]indol-6-yl]indol-1-yl]methanone is sourced from PubChem (CID 56851751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).