(8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

C25H24BrNO — CID 71457792

IUPAC(8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21
InChIInChI=1S/C25H24BrNO/c1-3-4-7-16-27-17(2)23(19-12-5-6-15-22(19)27)25(28)20-13-8-10-18-11-9-14-21(26)24(18)20/h5-6,8-15H,3-4,7,16H2,1-2H3
InChIKeyJPGHESNKHAZUNP-UHFFFAOYSA-N
MW434.38 g/mol
LogP7.29
Rot. Bonds6

About (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

(8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (PubChem CID 71457792) has the molecular formula C25H24BrNO and a molecular weight of 434.38 g/mol. Its IUPAC name is (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
PubChem CID71457792
Molecular FormulaC25H24BrNO
Molecular Weight434.38 g/mol
Exact Mass433.10
IUPAC Name(8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21
InChIInChI=1S/C25H24BrNO/c1-3-4-7-16-27-17(2)23(19-12-5-6-15-22(19)27)25(28)20-13-8-10-18-11-9-14-21(26)24(18)20/h5-6,8-15H,3-4,7,16H2,1-2H3
InChIKeyJPGHESNKHAZUNP-UHFFFAOYSA-N
XLogP7.29
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.38
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The IUPAC name of (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (CID 71457792) is (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.
What is the SMILES notation for (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The canonical SMILES for (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is CCCCCn1c(C)c(C(=O)c2cccc3cccc(Br)c23)c2ccccc21.
What is the InChIKey of (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The InChIKey is JPGHESNKHAZUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrNO/c1-3-4-7-16-27-17(2)23(19-12-5-6-15-22(19)27)25(28)20-13-8-10-18-11-9-14-21(26)24(18)20/h5-6,8-15H,3-4,7,16H2,1-2H3.
What are the key properties of (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
(8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone has a molecular weight of 434.38 g/mol, XLogP of 7.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromonaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is sourced from PubChem (CID 71457792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).