dibenzofuran;1-phenyl-9H-fluorene

C31H22O — CID 175545610

IUPACdibenzofuran;1-phenyl-9H-fluorene
SMILESc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H14.C12H8O/c1-2-7-14(8-3-1)16-11-6-12-18-17-10-5-4-9-15(17)13-19(16)18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-12H,13H2;1-8H
InChIKeyUQWYMLPWWVQGQK-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.51
Rot. Bonds1

About dibenzofuran;1-phenyl-9H-fluorene

dibenzofuran;1-phenyl-9H-fluorene (PubChem CID 175545610) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is dibenzofuran;1-phenyl-9H-fluorene.

Molecular Properties

Compound Namedibenzofuran;1-phenyl-9H-fluorene
PubChem CID175545610
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Namedibenzofuran;1-phenyl-9H-fluorene
SMILESc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1.c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C19H14.C12H8O/c1-2-7-14(8-3-1)16-11-6-12-18-17-10-5-4-9-15(17)13-19(16)18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-12H,13H2;1-8H
InChIKeyUQWYMLPWWVQGQK-UHFFFAOYSA-N
XLogP8.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran;1-phenyl-9H-fluorene?
The IUPAC name of dibenzofuran;1-phenyl-9H-fluorene (CID 175545610) is dibenzofuran;1-phenyl-9H-fluorene.
What is the SMILES notation for dibenzofuran;1-phenyl-9H-fluorene?
The canonical SMILES for dibenzofuran;1-phenyl-9H-fluorene is c1ccc(-c2cccc3c2Cc2ccccc2-3)cc1.c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of dibenzofuran;1-phenyl-9H-fluorene?
The InChIKey is UQWYMLPWWVQGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14.C12H8O/c1-2-7-14(8-3-1)16-11-6-12-18-17-10-5-4-9-15(17)13-19(16)18;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-12H,13H2;1-8H.
What are the key properties of dibenzofuran;1-phenyl-9H-fluorene?
dibenzofuran;1-phenyl-9H-fluorene has a molecular weight of 410.52 g/mol, XLogP of 8.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;1-phenyl-9H-fluorene is sourced from PubChem (CID 175545610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).