(9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene

C29H24 — CID 170544030

IUPAC(9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene
SMILESCC(C)c1ccc2c(c1)/C(=C/c1ccc(-c3ccccc3)cc1)c1ccccc1-2
InChIInChI=1S/C29H24/c1-20(2)24-16-17-27-25-10-6-7-11-26(25)28(29(27)19-24)18-21-12-14-23(15-13-21)22-8-4-3-5-9-22/h3-20H,1-2H3/b28-18+
InChIKeyICWLLDSCGYCLQX-MTDXEUNCSA-N
MW372.51 g/mol
LogP8.05
Rot. Bonds3

About (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene

(9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene (PubChem CID 170544030) has the molecular formula C29H24 and a molecular weight of 372.51 g/mol. Its IUPAC name is (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene.

Molecular Properties

Compound Name(9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene
PubChem CID170544030
Molecular FormulaC29H24
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name(9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene
SMILESCC(C)c1ccc2c(c1)/C(=C/c1ccc(-c3ccccc3)cc1)c1ccccc1-2
InChIInChI=1S/C29H24/c1-20(2)24-16-17-27-25-10-6-7-11-26(25)28(29(27)19-24)18-21-12-14-23(15-13-21)22-8-4-3-5-9-22/h3-20H,1-2H3/b28-18+
InChIKeyICWLLDSCGYCLQX-MTDXEUNCSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 58.05
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 (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene?
The IUPAC name of (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene (CID 170544030) is (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene.
What is the SMILES notation for (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene?
The canonical SMILES for (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene is CC(C)c1ccc2c(c1)/C(=C/c1ccc(-c3ccccc3)cc1)c1ccccc1-2.
What is the InChIKey of (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene?
The InChIKey is ICWLLDSCGYCLQX-MTDXEUNCSA-N. The full InChI is InChI=1S/C29H24/c1-20(2)24-16-17-27-25-10-6-7-11-26(25)28(29(27)19-24)18-21-12-14-23(15-13-21)22-8-4-3-5-9-22/h3-20H,1-2H3/b28-18+.
What are the key properties of (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene?
(9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene has a molecular weight of 372.51 g/mol, XLogP of 8.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[(4-phenylphenyl)methylidene]-2-propan-2-ylfluorene is sourced from PubChem (CID 170544030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).