3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene

C30H21FO2 — CID 6617826

IUPAC3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc5ccccc5cc34)O2)cc1
InChIInChI=1S/C30H21FO2/c1-32-24-13-11-23(12-14-24)30(27-8-4-5-9-28(27)31)17-16-25-26-19-21-7-3-2-6-20(21)18-22(26)10-15-29(25)33-30/h2-19H,1H3
InChIKeySXTDCFHLSVQKEJ-UHFFFAOYSA-N
MW432.49 g/mol
LogP7.49
Rot. Bonds3

About 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene

3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene (PubChem CID 6617826) has the molecular formula C30H21FO2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene
PubChem CID6617826
Molecular FormulaC30H21FO2
Molecular Weight432.49 g/mol
Exact Mass432.15
IUPAC Name3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene
SMILESCOc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc5ccccc5cc34)O2)cc1
InChIInChI=1S/C30H21FO2/c1-32-24-13-11-23(12-14-24)30(27-8-4-5-9-28(27)31)17-16-25-26-19-21-7-3-2-6-20(21)18-22(26)10-15-29(25)33-30/h2-19H,1H3
InChIKeySXTDCFHLSVQKEJ-UHFFFAOYSA-N
XLogP7.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene?
The IUPAC name of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene (CID 6617826) is 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene?
The canonical SMILES for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene is COc1ccc(C2(c3ccccc3F)C=Cc3c(ccc4cc5ccccc5cc34)O2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene?
The InChIKey is SXTDCFHLSVQKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FO2/c1-32-24-13-11-23(12-14-24)30(27-8-4-5-9-28(27)31)17-16-25-26-19-21-7-3-2-6-20(21)18-22(26)10-15-29(25)33-30/h2-19H,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene?
3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene has a molecular weight of 432.49 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(4-methoxyphenyl)naphtho[2,3-f]chromene is sourced from PubChem (CID 6617826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).