1-methyl-6-phenyl-9H-fluorene

C20H16 — CID 157259892

IUPAC1-methyl-6-phenyl-9H-fluorene
SMILESCc1cccc2c1Cc1ccc(-c3ccccc3)cc1-2
InChIInChI=1S/C20H16/c1-14-6-5-9-18-19(14)13-17-11-10-16(12-20(17)18)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyZXBPAEQNVKONQB-UHFFFAOYSA-N
MW256.35 g/mol
LogP5.23
Rot. Bonds1

About 1-methyl-6-phenyl-9H-fluorene

1-methyl-6-phenyl-9H-fluorene (PubChem CID 157259892) has the molecular formula C20H16 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methyl-6-phenyl-9H-fluorene.

Molecular Properties

Compound Name1-methyl-6-phenyl-9H-fluorene
PubChem CID157259892
Molecular FormulaC20H16
Molecular Weight256.35 g/mol
Exact Mass256.13
IUPAC Name1-methyl-6-phenyl-9H-fluorene
SMILESCc1cccc2c1Cc1ccc(-c3ccccc3)cc1-2
InChIInChI=1S/C20H16/c1-14-6-5-9-18-19(14)13-17-11-10-16(12-20(17)18)15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyZXBPAEQNVKONQB-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.35
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenyl-9H-fluorene?
The IUPAC name of 1-methyl-6-phenyl-9H-fluorene (CID 157259892) is 1-methyl-6-phenyl-9H-fluorene.
What is the SMILES notation for 1-methyl-6-phenyl-9H-fluorene?
The canonical SMILES for 1-methyl-6-phenyl-9H-fluorene is Cc1cccc2c1Cc1ccc(-c3ccccc3)cc1-2.
What is the InChIKey of 1-methyl-6-phenyl-9H-fluorene?
The InChIKey is ZXBPAEQNVKONQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16/c1-14-6-5-9-18-19(14)13-17-11-10-16(12-20(17)18)15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 1-methyl-6-phenyl-9H-fluorene?
1-methyl-6-phenyl-9H-fluorene has a molecular weight of 256.35 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-9H-fluorene is sourced from PubChem (CID 157259892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).