10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene

C31H25Cl — CID 154981941

IUPAC10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene
SMILESCCc1c2ccccc2c(Cl)c2ccc(-c3ccc4c(c3)C(CC)c3ccccc3-4)cc12
InChIInChI=1S/C31H25Cl/c1-3-21-23-9-5-6-11-25(23)26-15-13-19(17-29(21)26)20-14-16-28-30(18-20)22(4-2)24-10-7-8-12-27(24)31(28)32/h5-18,21H,3-4H2,1-2H3
InChIKeyMKYPQVUELSDHQS-UHFFFAOYSA-N
MW432.99 g/mol
LogP9.40
Rot. Bonds3

About 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene

10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene (PubChem CID 154981941) has the molecular formula C31H25Cl and a molecular weight of 432.99 g/mol. Its IUPAC name is 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene.

Molecular Properties

Compound Name10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene
PubChem CID154981941
Molecular FormulaC31H25Cl
Molecular Weight432.99 g/mol
Exact Mass432.16
IUPAC Name10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene
SMILESCCc1c2ccccc2c(Cl)c2ccc(-c3ccc4c(c3)C(CC)c3ccccc3-4)cc12
InChIInChI=1S/C31H25Cl/c1-3-21-23-9-5-6-11-25(23)26-15-13-19(17-29(21)26)20-14-16-28-30(18-20)22(4-2)24-10-7-8-12-27(24)31(28)32/h5-18,21H,3-4H2,1-2H3
InChIKeyMKYPQVUELSDHQS-UHFFFAOYSA-N
XLogP9.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.99
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene?
The IUPAC name of 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene (CID 154981941) is 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene.
What is the SMILES notation for 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene?
The canonical SMILES for 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene is CCc1c2ccccc2c(Cl)c2ccc(-c3ccc4c(c3)C(CC)c3ccccc3-4)cc12.
What is the InChIKey of 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene?
The InChIKey is MKYPQVUELSDHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25Cl/c1-3-21-23-9-5-6-11-25(23)26-15-13-19(17-29(21)26)20-14-16-28-30(18-20)22(4-2)24-10-7-8-12-27(24)31(28)32/h5-18,21H,3-4H2,1-2H3.
What are the key properties of 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene?
10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene has a molecular weight of 432.99 g/mol, XLogP of 9.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-9-ethyl-2-(9-ethyl-9H-fluoren-2-yl)anthracene is sourced from PubChem (CID 154981941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).