(4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

C26H27NO — CID 45267820

IUPAC(4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H27NO/c1-4-5-10-17-27-19(3)25(23-13-8-9-14-24(23)27)26(28)22-16-15-18(2)20-11-6-7-12-21(20)22/h6-9,11-16H,4-5,10,17H2,1-3H3
InChIKeyJTJAMXUOXJGSCW-UHFFFAOYSA-N
MW369.51 g/mol
LogP6.83
Rot. Bonds6

About (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone

(4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (PubChem CID 45267820) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
PubChem CID45267820
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name(4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone
SMILESCCCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C26H27NO/c1-4-5-10-17-27-19(3)25(23-13-8-9-14-24(23)27)26(28)22-16-15-18(2)20-11-6-7-12-21(20)22/h6-9,11-16H,4-5,10,17H2,1-3H3
InChIKeyJTJAMXUOXJGSCW-UHFFFAOYSA-N
XLogP6.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 56.83
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 (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The IUPAC name of (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone (CID 45267820) is (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The canonical SMILES for (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is CCCCCn1c(C)c(C(=O)c2ccc(C)c3ccccc23)c2ccccc21.
What is the InChIKey of (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
The InChIKey is JTJAMXUOXJGSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c1-4-5-10-17-27-19(3)25(23-13-8-9-14-24(23)27)26(28)22-16-15-18(2)20-11-6-7-12-21(20)22/h6-9,11-16H,4-5,10,17H2,1-3H3.
What are the key properties of (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone?
(4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone has a molecular weight of 369.51 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-1-yl)-(2-methyl-1-pentylindol-3-yl)methanone is sourced from PubChem (CID 45267820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).