10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one

C31H21FO2 — CID 153239410

IUPAC10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one
SMILESCOc1ccc2c(-c3ccc(F)cc3)c3c(c(-c4ccc(C)cc4)c2c1)-c1ccccc1C3=O
InChIInChI=1S/C31H21FO2/c1-18-7-9-19(10-8-18)28-26-17-22(34-2)15-16-24(26)27(20-11-13-21(32)14-12-20)30-29(28)23-5-3-4-6-25(23)31(30)33/h3-17H,1-2H3
InChIKeyWRDQVOGXZWGGGD-UHFFFAOYSA-N
MW444.51 g/mol
LogP7.84
Rot. Bonds3

About 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one

10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one (PubChem CID 153239410) has the molecular formula C31H21FO2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one.

Molecular Properties

Compound Name10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one
PubChem CID153239410
Molecular FormulaC31H21FO2
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one
SMILESCOc1ccc2c(-c3ccc(F)cc3)c3c(c(-c4ccc(C)cc4)c2c1)-c1ccccc1C3=O
InChIInChI=1S/C31H21FO2/c1-18-7-9-19(10-8-18)28-26-17-22(34-2)15-16-24(26)27(20-11-13-21(32)14-12-20)30-29(28)23-5-3-4-6-25(23)31(30)33/h3-17H,1-2H3
InChIKeyWRDQVOGXZWGGGD-UHFFFAOYSA-N
XLogP7.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one?
The IUPAC name of 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one (CID 153239410) is 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one.
What is the SMILES notation for 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one?
The canonical SMILES for 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one is COc1ccc2c(-c3ccc(F)cc3)c3c(c(-c4ccc(C)cc4)c2c1)-c1ccccc1C3=O.
What is the InChIKey of 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one?
The InChIKey is WRDQVOGXZWGGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FO2/c1-18-7-9-19(10-8-18)28-26-17-22(34-2)15-16-24(26)27(20-11-13-21(32)14-12-20)30-29(28)23-5-3-4-6-25(23)31(30)33/h3-17H,1-2H3.
What are the key properties of 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one?
10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one has a molecular weight of 444.51 g/mol, XLogP of 7.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-7-methoxy-5-(4-methylphenyl)benzo[b]fluoren-11-one is sourced from PubChem (CID 153239410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).