9-phenyl-10-propan-2-ylanthracene

C23H20 — CID 624658

IUPAC9-phenyl-10-propan-2-ylanthracene
SMILESCC(C)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H20/c1-16(2)22-18-12-6-8-14-20(18)23(17-10-4-3-5-11-17)21-15-9-7-13-19(21)22/h3-16H,1-2H3
InChIKeyJBJZABACKJFZIG-UHFFFAOYSA-N
MW296.41 g/mol
LogP6.78
Rot. Bonds2

About 9-phenyl-10-propan-2-ylanthracene

9-phenyl-10-propan-2-ylanthracene (PubChem CID 624658) has the molecular formula C23H20 and a molecular weight of 296.41 g/mol. Its IUPAC name is 9-phenyl-10-propan-2-ylanthracene.

Molecular Properties

Compound Name9-phenyl-10-propan-2-ylanthracene
PubChem CID624658
Molecular FormulaC23H20
Molecular Weight296.41 g/mol
Exact Mass296.16
IUPAC Name9-phenyl-10-propan-2-ylanthracene
SMILESCC(C)c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C23H20/c1-16(2)22-18-12-6-8-14-20(18)23(17-10-4-3-5-11-17)21-15-9-7-13-19(21)22/h3-16H,1-2H3
InChIKeyJBJZABACKJFZIG-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 56.78
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 9-phenyl-10-propan-2-ylanthracene?
The IUPAC name of 9-phenyl-10-propan-2-ylanthracene (CID 624658) is 9-phenyl-10-propan-2-ylanthracene.
What is the SMILES notation for 9-phenyl-10-propan-2-ylanthracene?
The canonical SMILES for 9-phenyl-10-propan-2-ylanthracene is CC(C)c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 9-phenyl-10-propan-2-ylanthracene?
The InChIKey is JBJZABACKJFZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20/c1-16(2)22-18-12-6-8-14-20(18)23(17-10-4-3-5-11-17)21-15-9-7-13-19(21)22/h3-16H,1-2H3.
What are the key properties of 9-phenyl-10-propan-2-ylanthracene?
9-phenyl-10-propan-2-ylanthracene has a molecular weight of 296.41 g/mol, XLogP of 6.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-propan-2-ylanthracene is sourced from PubChem (CID 624658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).