naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone

C26H25NO — CID 91713062

IUPACnaphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone
SMILESCCCCCn1ccc(C(=O)c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C26H25NO/c1-2-3-9-18-27-19-17-24(25(27)21-12-5-4-6-13-21)26(28)23-16-10-14-20-11-7-8-15-22(20)23/h4-8,10-17,19H,2-3,9,18H2,1H3
InChIKeyVMSOEUHEBCVAPI-UHFFFAOYSA-N
MW367.49 g/mol
LogP6.73
Rot. Bonds7

About naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone

naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone (PubChem CID 91713062) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone
PubChem CID91713062
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Namenaphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone
SMILESCCCCCn1ccc(C(=O)c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C26H25NO/c1-2-3-9-18-27-19-17-24(25(27)21-12-5-4-6-13-21)26(28)23-16-10-14-20-11-7-8-15-22(20)23/h4-8,10-17,19H,2-3,9,18H2,1H3
InChIKeyVMSOEUHEBCVAPI-UHFFFAOYSA-N
XLogP6.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 56.73
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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Related Compounds

(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
1-naphthalen-1-yldodecan-1-one
CID 3424169
2-methyl-1-naphthalen-1-yldecan-1-one
CID 90112033
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557581
naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
CID 121305366
2-methyl-1-pentylpyrrole-3-carboxylic acid
CID 84618035
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone (CID 91713062) is naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone is CCCCCn1ccc(C(=O)c2cccc3ccccc23)c1-c1ccccc1.
What is the InChIKey of naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone?
The InChIKey is VMSOEUHEBCVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c1-2-3-9-18-27-19-17-24(25(27)21-12-5-4-6-13-21)26(28)23-16-10-14-20-11-7-8-15-22(20)23/h4-8,10-17,19H,2-3,9,18H2,1H3.
What are the key properties of naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone?
naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone has a molecular weight of 367.49 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(1-pentyl-2-phenylpyrrol-3-yl)methanone is sourced from PubChem (CID 91713062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).