(6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C24H20BrNO4 — CID 122183354

IUPAC(6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cc(Br)ccc23)cc(OC)c1OC
InChIInChI=1S/C24H20BrNO4/c1-28-19-11-15(12-20(29-2)24(19)30-3)23(27)21-17-10-9-16(25)13-18(17)26-22(21)14-7-5-4-6-8-14/h4-13,26H,1-3H3
InChIKeyVSCHQOWSHWPVAR-UHFFFAOYSA-N
MW466.33 g/mol
LogP5.85
Rot. Bonds6

About (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 122183354) has the molecular formula C24H20BrNO4 and a molecular weight of 466.33 g/mol. Its IUPAC name is (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID122183354
Molecular FormulaC24H20BrNO4
Molecular Weight466.33 g/mol
Exact Mass465.06
IUPAC Name(6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cc(Br)ccc23)cc(OC)c1OC
InChIInChI=1S/C24H20BrNO4/c1-28-19-11-15(12-20(29-2)24(19)30-3)23(27)21-17-10-9-16(25)13-18(17)26-22(21)14-7-5-4-6-8-14/h4-13,26H,1-3H3
InChIKeyVSCHQOWSHWPVAR-UHFFFAOYSA-N
XLogP5.85
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.33
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 122183354) is (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-c3ccccc3)[nH]c3cc(Br)ccc23)cc(OC)c1OC.
What is the InChIKey of (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is VSCHQOWSHWPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO4/c1-28-19-11-15(12-20(29-2)24(19)30-3)23(27)21-17-10-9-16(25)13-18(17)26-22(21)14-7-5-4-6-8-14/h4-13,26H,1-3H3.
What are the key properties of (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 466.33 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-phenyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 122183354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).