9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene

C25H22 — CID 24808437

IUPAC9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene
SMILESCc1ccc(C)c2c1CC(C)C2=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22/c1-15-12-13-16(2)23-22(15)14-17(3)24(23)25-20-10-6-4-8-18(20)19-9-5-7-11-21(19)25/h4-13,17H,14H2,1-3H3
InChIKeyRLUUIUYWPBXBTQ-UHFFFAOYSA-N
MW322.45 g/mol
LogP6.44
Rot. Bonds

About 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene

9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene (PubChem CID 24808437) has the molecular formula C25H22 and a molecular weight of 322.45 g/mol. Its IUPAC name is 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene.

Molecular Properties

Compound Name9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene
PubChem CID24808437
Molecular FormulaC25H22
Molecular Weight322.45 g/mol
Exact Mass322.17
IUPAC Name9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene
SMILESCc1ccc(C)c2c1CC(C)C2=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H22/c1-15-12-13-16(2)23-22(15)14-17(3)24(23)25-20-10-6-4-8-18(20)19-9-5-7-11-21(19)25/h4-13,17H,14H2,1-3H3
InChIKeyRLUUIUYWPBXBTQ-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 56.44
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-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene?
The IUPAC name of 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene (CID 24808437) is 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene.
What is the SMILES notation for 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene?
The canonical SMILES for 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene is Cc1ccc(C)c2c1CC(C)C2=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene?
The InChIKey is RLUUIUYWPBXBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22/c1-15-12-13-16(2)23-22(15)14-17(3)24(23)25-20-10-6-4-8-18(20)19-9-5-7-11-21(19)25/h4-13,17H,14H2,1-3H3.
What are the key properties of 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene?
9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene has a molecular weight of 322.45 g/mol, XLogP of 6.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4,7-trimethyl-2,3-dihydroinden-1-ylidene)fluorene is sourced from PubChem (CID 24808437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).