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

C24H22BrNO — CID 57458937

IUPAC(8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3cccc(Br)c23)c2ccccc21
InChIInChI=1S/C24H22BrNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKeyQXZYVJRMQVOOEQ-UHFFFAOYSA-N
MW420.35 g/mol
LogP6.98
Rot. Bonds6

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

(8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 57458937) has the molecular formula C24H22BrNO and a molecular weight of 420.35 g/mol. Its IUPAC name is (8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID57458937
Molecular FormulaC24H22BrNO
Molecular Weight420.35 g/mol
Exact Mass419.09
IUPAC Name(8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3cccc(Br)c23)c2ccccc21
InChIInChI=1S/C24H22BrNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKeyQXZYVJRMQVOOEQ-UHFFFAOYSA-N
XLogP6.98
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 56.98
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)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 57458937) is (8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2cccc3cccc(Br)c23)c2ccccc21.
What is the InChIKey of (8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is QXZYVJRMQVOOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3.
What are the key properties of (8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(8-bromonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone has a molecular weight of 420.35 g/mol, XLogP of 6.98, 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)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 57458937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).