1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene

C25H16Cl2O — CID 142767655

IUPAC1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene
SMILESClc1ccc(C2=CC(c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C25H16Cl2O/c26-19-10-5-17(6-11-19)22-15-24(18-7-12-20(27)13-8-18)28-23-14-9-16-3-1-2-4-21(16)25(22)23/h1-15,22H
InChIKeyKNQUQIXUBSCZED-UHFFFAOYSA-N
MW403.31 g/mol
LogP7.71
Rot. Bonds2

About 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene

1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene (PubChem CID 142767655) has the molecular formula C25H16Cl2O and a molecular weight of 403.31 g/mol. Its IUPAC name is 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene.

Molecular Properties

Compound Name1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene
PubChem CID142767655
Molecular FormulaC25H16Cl2O
Molecular Weight403.31 g/mol
Exact Mass402.06
IUPAC Name1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene
SMILESClc1ccc(C2=CC(c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C25H16Cl2O/c26-19-10-5-17(6-11-19)22-15-24(18-7-12-20(27)13-8-18)28-23-14-9-16-3-1-2-4-21(16)25(22)23/h1-15,22H
InChIKeyKNQUQIXUBSCZED-UHFFFAOYSA-N
XLogP7.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene?
The IUPAC name of 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene (CID 142767655) is 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene.
What is the SMILES notation for 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene?
The canonical SMILES for 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene is Clc1ccc(C2=CC(c3ccc(Cl)cc3)c3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene?
The InChIKey is KNQUQIXUBSCZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2O/c26-19-10-5-17(6-11-19)22-15-24(18-7-12-20(27)13-8-18)28-23-14-9-16-3-1-2-4-21(16)25(22)23/h1-15,22H.
What are the key properties of 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene?
1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene has a molecular weight of 403.31 g/mol, XLogP of 7.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-chlorophenyl)-1H-benzo[f]chromene is sourced from PubChem (CID 142767655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).