9-benzhydryl-9H-fluorene

C26H20 — CID 12716489

IUPAC9-benzhydryl-9H-fluorene
SMILESc1ccc(C(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H20/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)26-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26/h1-18,25-26H
InChIKeyAVUAJOXAJCZEET-UHFFFAOYSA-N
MW332.45 g/mol
LogP6.63
Rot. Bonds3

About 9-benzhydryl-9H-fluorene

9-benzhydryl-9H-fluorene (PubChem CID 12716489) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 9-benzhydryl-9H-fluorene.

Molecular Properties

Compound Name9-benzhydryl-9H-fluorene
PubChem CID12716489
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name9-benzhydryl-9H-fluorene
SMILESc1ccc(C(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C26H20/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)26-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26/h1-18,25-26H
InChIKeyAVUAJOXAJCZEET-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-benzhydryl-9H-fluorene?
The IUPAC name of 9-benzhydryl-9H-fluorene (CID 12716489) is 9-benzhydryl-9H-fluorene.
What is the SMILES notation for 9-benzhydryl-9H-fluorene?
The canonical SMILES for 9-benzhydryl-9H-fluorene is c1ccc(C(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-benzhydryl-9H-fluorene?
The InChIKey is AVUAJOXAJCZEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)26-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26/h1-18,25-26H.
What are the key properties of 9-benzhydryl-9H-fluorene?
9-benzhydryl-9H-fluorene has a molecular weight of 332.45 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydryl-9H-fluorene is sourced from PubChem (CID 12716489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).