1-tridecan-7-ylanthracene

C27H36 — CID 150514951

IUPAC1-tridecan-7-ylanthracene
SMILESCCCCCCC(CCCCCC)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C27H36/c1-3-5-7-9-14-22(15-10-8-6-4-2)26-19-13-18-25-20-23-16-11-12-17-24(23)21-27(25)26/h11-13,16-22H,3-10,14-15H2,1-2H3
InChIKeyIAPVUJBSOPMPLC-UHFFFAOYSA-N
MW360.59 g/mol
LogP9.02
Rot. Bonds11

About 1-tridecan-7-ylanthracene

1-tridecan-7-ylanthracene (PubChem CID 150514951) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-tridecan-7-ylanthracene.

Molecular Properties

Compound Name1-tridecan-7-ylanthracene
PubChem CID150514951
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name1-tridecan-7-ylanthracene
SMILESCCCCCCC(CCCCCC)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C27H36/c1-3-5-7-9-14-22(15-10-8-6-4-2)26-19-13-18-25-20-23-16-11-12-17-24(23)21-27(25)26/h11-13,16-22H,3-10,14-15H2,1-2H3
InChIKeyIAPVUJBSOPMPLC-UHFFFAOYSA-N
XLogP9.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
1-octacosan-4-ylnaphthalene
CID 54149804
1-decan-5-ylnaphthalene
CID 14029915
5-naphthalen-1-ylheptadecan-2-one
CID 142778100
2-pentadecan-6-ylphenol
CID 66865451
3-naphthalen-1-ylheptan-1-amine
CID 142028314
1,5-bis(1-chloropentyl)anthracene
CID 175255597
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
2-icosan-9-ylaniline
CID 22408958
1-dodecylpentacene
CID 141370235
formaldehyde;2-tridecan-5-ylphenol
CID 130205554

Frequently Asked Questions

What is the IUPAC name of 1-tridecan-7-ylanthracene?
The IUPAC name of 1-tridecan-7-ylanthracene (CID 150514951) is 1-tridecan-7-ylanthracene.
What is the SMILES notation for 1-tridecan-7-ylanthracene?
The canonical SMILES for 1-tridecan-7-ylanthracene is CCCCCCC(CCCCCC)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-tridecan-7-ylanthracene?
The InChIKey is IAPVUJBSOPMPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-3-5-7-9-14-22(15-10-8-6-4-2)26-19-13-18-25-20-23-16-11-12-17-24(23)21-27(25)26/h11-13,16-22H,3-10,14-15H2,1-2H3.
What are the key properties of 1-tridecan-7-ylanthracene?
1-tridecan-7-ylanthracene has a molecular weight of 360.59 g/mol, XLogP of 9.02, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tridecan-7-ylanthracene is sourced from PubChem (CID 150514951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).