9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene

C38H27F — CID 91885540

IUPAC9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene
SMILESCc1ccc(C)c2c1C(=C1c3ccccc3-c3ccccc31)C(C)(F)C2=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C38H27F/c1-22-20-21-23(2)33-32(22)36(34-28-16-8-4-12-24(28)25-13-5-9-17-29(25)34)38(3,39)37(33)35-30-18-10-6-14-26(30)27-15-7-11-19-31(27)35/h4-21H,1-3H3
InChIKeyLRJHBCKHQGEPPI-UHFFFAOYSA-N
MW502.63 g/mol
LogP9.92
Rot. Bonds

About 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene

9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene (PubChem CID 91885540) has the molecular formula C38H27F and a molecular weight of 502.63 g/mol. Its IUPAC name is 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene.

Molecular Properties

Compound Name9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene
PubChem CID91885540
Molecular FormulaC38H27F
Molecular Weight502.63 g/mol
Exact Mass502.21
IUPAC Name9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene
SMILESCc1ccc(C)c2c1C(=C1c3ccccc3-c3ccccc31)C(C)(F)C2=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C38H27F/c1-22-20-21-23(2)33-32(22)36(34-28-16-8-4-12-24(28)25-13-5-9-17-29(25)34)38(3,39)37(33)35-30-18-10-6-14-26(30)27-15-7-11-19-31(27)35/h4-21H,1-3H3
InChIKeyLRJHBCKHQGEPPI-UHFFFAOYSA-N
XLogP9.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene?
The IUPAC name of 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene (CID 91885540) is 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene.
What is the SMILES notation for 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene?
The canonical SMILES for 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene is Cc1ccc(C)c2c1C(=C1c3ccccc3-c3ccccc31)C(C)(F)C2=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene?
The InChIKey is LRJHBCKHQGEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27F/c1-22-20-21-23(2)33-32(22)36(34-28-16-8-4-12-24(28)25-13-5-9-17-29(25)34)38(3,39)37(33)35-30-18-10-6-14-26(30)27-15-7-11-19-31(27)35/h4-21H,1-3H3.
What are the key properties of 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene?
9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene has a molecular weight of 502.63 g/mol, XLogP of 9.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoren-9-ylidene-2-fluoro-2,4,7-trimethylinden-1-ylidene)fluorene is sourced from PubChem (CID 91885540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).