9-(9H-fluoren-2-yl)-10-phenylanthracene

C33H22 — CID 59866453

IUPAC9-(9H-fluoren-2-yl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C33H22/c1-2-10-22(11-3-1)32-28-14-6-8-16-30(28)33(31-17-9-7-15-29(31)32)24-18-19-27-25(21-24)20-23-12-4-5-13-26(23)27/h1-19,21H,20H2
InChIKeyFFBFPDWDMFLJDT-UHFFFAOYSA-N
MW418.54 g/mol
LogP8.90
Rot. Bonds2

About 9-(9H-fluoren-2-yl)-10-phenylanthracene

9-(9H-fluoren-2-yl)-10-phenylanthracene (PubChem CID 59866453) has the molecular formula C33H22 and a molecular weight of 418.54 g/mol. Its IUPAC name is 9-(9H-fluoren-2-yl)-10-phenylanthracene.

Molecular Properties

Compound Name9-(9H-fluoren-2-yl)-10-phenylanthracene
PubChem CID59866453
Molecular FormulaC33H22
Molecular Weight418.54 g/mol
Exact Mass418.17
IUPAC Name9-(9H-fluoren-2-yl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C33H22/c1-2-10-22(11-3-1)32-28-14-6-8-16-30(28)33(31-17-9-7-15-29(31)32)24-18-19-27-25(21-24)20-23-12-4-5-13-26(23)27/h1-19,21H,20H2
InChIKeyFFBFPDWDMFLJDT-UHFFFAOYSA-N
XLogP8.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 58.90
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-(9H-fluoren-2-yl)-10-phenylanthracene?
The IUPAC name of 9-(9H-fluoren-2-yl)-10-phenylanthracene (CID 59866453) is 9-(9H-fluoren-2-yl)-10-phenylanthracene.
What is the SMILES notation for 9-(9H-fluoren-2-yl)-10-phenylanthracene?
The canonical SMILES for 9-(9H-fluoren-2-yl)-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of 9-(9H-fluoren-2-yl)-10-phenylanthracene?
The InChIKey is FFBFPDWDMFLJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22/c1-2-10-22(11-3-1)32-28-14-6-8-16-30(28)33(31-17-9-7-15-29(31)32)24-18-19-27-25(21-24)20-23-12-4-5-13-26(23)27/h1-19,21H,20H2.
What are the key properties of 9-(9H-fluoren-2-yl)-10-phenylanthracene?
9-(9H-fluoren-2-yl)-10-phenylanthracene has a molecular weight of 418.54 g/mol, XLogP of 8.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9H-fluoren-2-yl)-10-phenylanthracene is sourced from PubChem (CID 59866453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).