6,9-dimethyl-1-phenyl-9H-fluorene

C21H18 — CID 162012318

IUPAC6,9-dimethyl-1-phenyl-9H-fluorene
SMILESCc1ccc2c(c1)-c1cccc(-c3ccccc3)c1C2C
InChIInChI=1S/C21H18/c1-14-11-12-17-15(2)21-18(16-7-4-3-5-8-16)9-6-10-19(21)20(17)13-14/h3-13,15H,1-2H3
InChIKeyBSQVJCQKYACINY-UHFFFAOYSA-N
MW270.38 g/mol
LogP5.79
Rot. Bonds1

About 6,9-dimethyl-1-phenyl-9H-fluorene

6,9-dimethyl-1-phenyl-9H-fluorene (PubChem CID 162012318) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is 6,9-dimethyl-1-phenyl-9H-fluorene.

Molecular Properties

Compound Name6,9-dimethyl-1-phenyl-9H-fluorene
PubChem CID162012318
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Name6,9-dimethyl-1-phenyl-9H-fluorene
SMILESCc1ccc2c(c1)-c1cccc(-c3ccccc3)c1C2C
InChIInChI=1S/C21H18/c1-14-11-12-17-15(2)21-18(16-7-4-3-5-8-16)9-6-10-19(21)20(17)13-14/h3-13,15H,1-2H3
InChIKeyBSQVJCQKYACINY-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-1-phenyl-9H-fluorene?
The IUPAC name of 6,9-dimethyl-1-phenyl-9H-fluorene (CID 162012318) is 6,9-dimethyl-1-phenyl-9H-fluorene.
What is the SMILES notation for 6,9-dimethyl-1-phenyl-9H-fluorene?
The canonical SMILES for 6,9-dimethyl-1-phenyl-9H-fluorene is Cc1ccc2c(c1)-c1cccc(-c3ccccc3)c1C2C.
What is the InChIKey of 6,9-dimethyl-1-phenyl-9H-fluorene?
The InChIKey is BSQVJCQKYACINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18/c1-14-11-12-17-15(2)21-18(16-7-4-3-5-8-16)9-6-10-19(21)20(17)13-14/h3-13,15H,1-2H3.
What are the key properties of 6,9-dimethyl-1-phenyl-9H-fluorene?
6,9-dimethyl-1-phenyl-9H-fluorene has a molecular weight of 270.38 g/mol, XLogP of 5.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-1-phenyl-9H-fluorene is sourced from PubChem (CID 162012318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).