1,5-bis(1-chloropentyl)anthracene

C24H28Cl2 — CID 175255597

IUPAC1,5-bis(1-chloropentyl)anthracene
SMILESCCCCC(Cl)c1cccc2cc3c(C(Cl)CCCC)cccc3cc12
InChIInChI=1S/C24H28Cl2/c1-3-5-13-23(25)19-11-7-9-17-16-22-18(15-21(17)19)10-8-12-20(22)24(26)14-6-4-2/h7-12,15-16,23-24H,3-6,13-14H2,1-2H3
InChIKeyCCWPBAQPEBYPBG-UHFFFAOYSA-N
MW387.39 g/mol
LogP8.93
Rot. Bonds8

About 1,5-bis(1-chloropentyl)anthracene

1,5-bis(1-chloropentyl)anthracene (PubChem CID 175255597) has the molecular formula C24H28Cl2 and a molecular weight of 387.39 g/mol. Its IUPAC name is 1,5-bis(1-chloropentyl)anthracene.

Molecular Properties

Compound Name1,5-bis(1-chloropentyl)anthracene
PubChem CID175255597
Molecular FormulaC24H28Cl2
Molecular Weight387.39 g/mol
Exact Mass386.16
IUPAC Name1,5-bis(1-chloropentyl)anthracene
SMILESCCCCC(Cl)c1cccc2cc3c(C(Cl)CCCC)cccc3cc12
InChIInChI=1S/C24H28Cl2/c1-3-5-13-23(25)19-11-7-9-17-16-22-18(15-21(17)19)10-8-12-20(22)24(26)14-6-4-2/h7-12,15-16,23-24H,3-6,13-14H2,1-2H3
InChIKeyCCWPBAQPEBYPBG-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.39
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1-chloropentyl)anthracene?
The IUPAC name of 1,5-bis(1-chloropentyl)anthracene (CID 175255597) is 1,5-bis(1-chloropentyl)anthracene.
What is the SMILES notation for 1,5-bis(1-chloropentyl)anthracene?
The canonical SMILES for 1,5-bis(1-chloropentyl)anthracene is CCCCC(Cl)c1cccc2cc3c(C(Cl)CCCC)cccc3cc12.
What is the InChIKey of 1,5-bis(1-chloropentyl)anthracene?
The InChIKey is CCWPBAQPEBYPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2/c1-3-5-13-23(25)19-11-7-9-17-16-22-18(15-21(17)19)10-8-12-20(22)24(26)14-6-4-2/h7-12,15-16,23-24H,3-6,13-14H2,1-2H3.
What are the key properties of 1,5-bis(1-chloropentyl)anthracene?
1,5-bis(1-chloropentyl)anthracene has a molecular weight of 387.39 g/mol, XLogP of 8.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(1-chloropentyl)anthracene is sourced from PubChem (CID 175255597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).