1-chloropentane;perylene

C25H23Cl — CID 174651563

IUPAC1-chloropentane;perylene
SMILESCCCCCCl.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C5H11Cl/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-3-4-5-6/h1-12H;2-5H2,1H3
InChIKeyKVQPHVCBYZLZNT-UHFFFAOYSA-N
MW358.91 g/mol
LogP8.15
Rot. Bonds3

About 1-chloropentane;perylene

1-chloropentane;perylene (PubChem CID 174651563) has the molecular formula C25H23Cl and a molecular weight of 358.91 g/mol. Its IUPAC name is 1-chloropentane;perylene.

Molecular Properties

Compound Name1-chloropentane;perylene
PubChem CID174651563
Molecular FormulaC25H23Cl
Molecular Weight358.91 g/mol
Exact Mass358.15
IUPAC Name1-chloropentane;perylene
SMILESCCCCCCl.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C5H11Cl/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-3-4-5-6/h1-12H;2-5H2,1H3
InChIKeyKVQPHVCBYZLZNT-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.91
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

butane;perylene
CID 159762170
1-butoxyperylene
CID 175026597
heptane;phenanthrene
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anisole;1-chloropentane
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3-octadec-1-ynylperylene
CID 102404974
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
1-chloropentane;1H-indole
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bromobenzene;1-chloropentane
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1-chloronaphthalene;pentane
CID 19360859
1-chloropentane;tetracosane
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1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;perylene?
The IUPAC name of 1-chloropentane;perylene (CID 174651563) is 1-chloropentane;perylene.
What is the SMILES notation for 1-chloropentane;perylene?
The canonical SMILES for 1-chloropentane;perylene is CCCCCCl.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of 1-chloropentane;perylene?
The InChIKey is KVQPHVCBYZLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C5H11Cl/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-3-4-5-6/h1-12H;2-5H2,1H3.
What are the key properties of 1-chloropentane;perylene?
1-chloropentane;perylene has a molecular weight of 358.91 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;perylene is sourced from PubChem (CID 174651563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).