1,3-diphenyl-1H-benzo[f]chromene

C25H18O — CID 102235412

IUPAC1,3-diphenyl-1H-benzo[f]chromene
SMILESC1=C(c2ccccc2)Oc2ccc3ccccc3c2C1c1ccccc1
InChIInChI=1S/C25H18O/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-17,22H
InChIKeyXBNIRQLEMUTTLO-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.41
Rot. Bonds2

About 1,3-diphenyl-1H-benzo[f]chromene

1,3-diphenyl-1H-benzo[f]chromene (PubChem CID 102235412) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,3-diphenyl-1H-benzo[f]chromene.

Molecular Properties

Compound Name1,3-diphenyl-1H-benzo[f]chromene
PubChem CID102235412
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Name1,3-diphenyl-1H-benzo[f]chromene
SMILESC1=C(c2ccccc2)Oc2ccc3ccccc3c2C1c1ccccc1
InChIInChI=1S/C25H18O/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-17,22H
InChIKeyXBNIRQLEMUTTLO-UHFFFAOYSA-N
XLogP6.41
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 ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-1H-benzo[f]chromene?
The IUPAC name of 1,3-diphenyl-1H-benzo[f]chromene (CID 102235412) is 1,3-diphenyl-1H-benzo[f]chromene.
What is the SMILES notation for 1,3-diphenyl-1H-benzo[f]chromene?
The canonical SMILES for 1,3-diphenyl-1H-benzo[f]chromene is C1=C(c2ccccc2)Oc2ccc3ccccc3c2C1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-1H-benzo[f]chromene?
The InChIKey is XBNIRQLEMUTTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23/h1-17,22H.
What are the key properties of 1,3-diphenyl-1H-benzo[f]chromene?
1,3-diphenyl-1H-benzo[f]chromene has a molecular weight of 334.42 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1H-benzo[f]chromene is sourced from PubChem (CID 102235412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).