8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene

C32H24O2 — CID 15331134

IUPAC8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
SMILESCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc(-c2ccccc2)cc1)C=C3
InChIInChI=1S/C32H24O2/c1-33-28-17-18-29-25(22-28)14-19-31-30(29)20-21-32(34-31,26-10-6-3-7-11-26)27-15-12-24(13-16-27)23-8-4-2-5-9-23/h2-22H,1H3
InChIKeyGHGGHUMRJYTUFU-UHFFFAOYSA-N
MW440.54 g/mol
LogP7.86
Rot. Bonds4

About 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene

8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene (PubChem CID 15331134) has the molecular formula C32H24O2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene.

Molecular Properties

Compound Name8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
PubChem CID15331134
Molecular FormulaC32H24O2
Molecular Weight440.54 g/mol
Exact Mass440.18
IUPAC Name8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
SMILESCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc(-c2ccccc2)cc1)C=C3
InChIInChI=1S/C32H24O2/c1-33-28-17-18-29-25(22-28)14-19-31-30(29)20-21-32(34-31,26-10-6-3-7-11-26)27-15-12-24(13-16-27)23-8-4-2-5-9-23/h2-22H,1H3
InChIKeyGHGGHUMRJYTUFU-UHFFFAOYSA-N
XLogP7.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene?
The IUPAC name of 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene (CID 15331134) is 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene.
What is the SMILES notation for 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene?
The canonical SMILES for 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene is COc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc(-c2ccccc2)cc1)C=C3.
What is the InChIKey of 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene?
The InChIKey is GHGGHUMRJYTUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O2/c1-33-28-17-18-29-25(22-28)14-19-31-30(29)20-21-32(34-31,26-10-6-3-7-11-26)27-15-12-24(13-16-27)23-8-4-2-5-9-23/h2-22H,1H3.
What are the key properties of 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene?
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene has a molecular weight of 440.54 g/mol, XLogP of 7.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene is sourced from PubChem (CID 15331134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).