(6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

C26H27NO2 — CID 11176619

IUPAC(6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21
InChIInChI=1S/C26H27NO2/c1-4-5-8-16-27-18(2)25(23-11-6-7-13-24(23)27)26(28)22-12-9-10-19-17-20(29-3)14-15-21(19)22/h6-7,9-15,17H,4-5,8,16H2,1-3H3
InChIKeyXPILHZIABLAHQL-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.53
Rot. Bonds7

About (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

(6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (PubChem CID 11176619) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
PubChem CID11176619
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21
InChIInChI=1S/C26H27NO2/c1-4-5-8-16-27-18(2)25(23-11-6-7-13-24(23)27)26(28)22-12-9-10-19-17-20(29-3)14-15-21(19)22/h6-7,9-15,17H,4-5,8,16H2,1-3H3
InChIKeyXPILHZIABLAHQL-UHFFFAOYSA-N
XLogP6.53
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The IUPAC name of (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (CID 11176619) is (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.
What is the SMILES notation for (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The canonical SMILES for (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is CCCCCn1c(C)c(C(=O)c2cccc3cc(OC)ccc23)c2ccccc21.
What is the InChIKey of (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The InChIKey is XPILHZIABLAHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-4-5-8-16-27-18(2)25(23-11-6-7-13-24(23)27)26(28)22-12-9-10-19-17-20(29-3)14-15-21(19)22/h6-7,9-15,17H,4-5,8,16H2,1-3H3.
What are the key properties of (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
(6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 6.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is sourced from PubChem (CID 11176619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).