3,3-diphenylbenzo[f]chromene

C25H18O — CID 3104870

IUPAC3,3-diphenylbenzo[f]chromene
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H
InChIKeyUBNNJVRNPJVYBU-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.19
Rot. Bonds2

About 3,3-diphenylbenzo[f]chromene

3,3-diphenylbenzo[f]chromene (PubChem CID 3104870) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3,3-diphenylbenzo[f]chromene.

Molecular Properties

Compound Name3,3-diphenylbenzo[f]chromene
PubChem CID3104870
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name3,3-diphenylbenzo[f]chromene
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2ccc3ccccc3c21
InChIInChI=1S/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H
InChIKeyUBNNJVRNPJVYBU-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylbenzo[f]chromene?
The IUPAC name of 3,3-diphenylbenzo[f]chromene (CID 3104870) is 3,3-diphenylbenzo[f]chromene.
What is the SMILES notation for 3,3-diphenylbenzo[f]chromene?
The canonical SMILES for 3,3-diphenylbenzo[f]chromene is C1=CC(c2ccccc2)(c2ccccc2)Oc2ccc3ccccc3c21.
What is the InChIKey of 3,3-diphenylbenzo[f]chromene?
The InChIKey is UBNNJVRNPJVYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O/c1-3-10-20(11-4-1)25(21-12-5-2-6-13-21)18-17-23-22-14-8-7-9-19(22)15-16-24(23)26-25/h1-18H.
What are the key properties of 3,3-diphenylbenzo[f]chromene?
3,3-diphenylbenzo[f]chromene has a molecular weight of 334.42 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylbenzo[f]chromene is sourced from PubChem (CID 3104870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).