(9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene

C40H31FO2 — CID 91885542

IUPAC(9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene
SMILESCOc1ccc2c(c1)/C(=C1\c3c(C)ccc(C)c3/C(=C3/c4ccccc4-c4ccc(OC)cc43)C1(C)F)c1ccccc1-2
InChIInChI=1S/C40H31FO2/c1-22-14-15-23(2)35-34(22)38(36-30-12-8-6-10-26(30)28-18-16-24(42-4)20-32(28)36)40(3,41)39(35)37-31-13-9-7-11-27(31)29-19-17-25(43-5)21-33(29)37/h6-21H,1-5H3/b38-36+,39-37+
InChIKeyDISCPVKFHDBAMP-NFSGFYSESA-N
MW562.68 g/mol
LogP9.94
Rot. Bonds2

About (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene

(9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene (PubChem CID 91885542) has the molecular formula C40H31FO2 and a molecular weight of 562.68 g/mol. Its IUPAC name is (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene.

Molecular Properties

Compound Name(9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene
PubChem CID91885542
Molecular FormulaC40H31FO2
Molecular Weight562.68 g/mol
Exact Mass562.23
IUPAC Name(9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene
SMILESCOc1ccc2c(c1)/C(=C1\c3c(C)ccc(C)c3/C(=C3/c4ccccc4-c4ccc(OC)cc43)C1(C)F)c1ccccc1-2
InChIInChI=1S/C40H31FO2/c1-22-14-15-23(2)35-34(22)38(36-30-12-8-6-10-26(30)28-18-16-24(42-4)20-32(28)36)40(3,41)39(35)37-31-13-9-7-11-27(31)29-19-17-25(43-5)21-33(29)37/h6-21H,1-5H3/b38-36+,39-37+
InChIKeyDISCPVKFHDBAMP-NFSGFYSESA-N
XLogP9.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene?
The IUPAC name of (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene (CID 91885542) is (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene.
What is the SMILES notation for (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene?
The canonical SMILES for (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene is COc1ccc2c(c1)/C(=C1\c3c(C)ccc(C)c3/C(=C3/c4ccccc4-c4ccc(OC)cc43)C1(C)F)c1ccccc1-2.
What is the InChIKey of (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene?
The InChIKey is DISCPVKFHDBAMP-NFSGFYSESA-N. The full InChI is InChI=1S/C40H31FO2/c1-22-14-15-23(2)35-34(22)38(36-30-12-8-6-10-26(30)28-18-16-24(42-4)20-32(28)36)40(3,41)39(35)37-31-13-9-7-11-27(31)29-19-17-25(43-5)21-33(29)37/h6-21H,1-5H3/b38-36+,39-37+.
What are the key properties of (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene?
(9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene has a molecular weight of 562.68 g/mol, XLogP of 9.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[(3E)-2-fluoro-3-(2-methoxyfluoren-9-ylidene)-2,4,7-trimethylinden-1-ylidene]-2-methoxyfluorene is sourced from PubChem (CID 91885542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).