4-benzyl-9-phenyl-9H-fluorene

C26H20 — CID 175580002

IUPAC4-benzyl-9-phenyl-9H-fluorene
SMILESc1ccc(Cc2cccc3c2-c2ccccc2C3c2ccccc2)cc1
InChIInChI=1S/C26H20/c1-3-10-19(11-4-1)18-21-14-9-17-24-25(20-12-5-2-6-13-20)22-15-7-8-16-23(22)26(21)24/h1-17,25H,18H2
InChIKeyREGKIJBQKQLFFD-UHFFFAOYSA-N
MW332.45 g/mol
LogP6.44
Rot. Bonds3

About 4-benzyl-9-phenyl-9H-fluorene

4-benzyl-9-phenyl-9H-fluorene (PubChem CID 175580002) has the molecular formula C26H20 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-benzyl-9-phenyl-9H-fluorene.

Molecular Properties

Compound Name4-benzyl-9-phenyl-9H-fluorene
PubChem CID175580002
Molecular FormulaC26H20
Molecular Weight332.45 g/mol
Exact Mass332.16
IUPAC Name4-benzyl-9-phenyl-9H-fluorene
SMILESc1ccc(Cc2cccc3c2-c2ccccc2C3c2ccccc2)cc1
InChIInChI=1S/C26H20/c1-3-10-19(11-4-1)18-21-14-9-17-24-25(20-12-5-2-6-13-20)22-15-7-8-16-23(22)26(21)24/h1-17,25H,18H2
InChIKeyREGKIJBQKQLFFD-UHFFFAOYSA-N
XLogP6.44
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 ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fluorene
CID 6853
3-Methylcholanthrene
CID 1674
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154
Benzo(K)Fluoranthene
CID 9158
Acenaphthene
CID 6734
Benzo(J)Fluoranthene
CID 9152
Cyclopenta(cd)pyrene
CID 33743
Benzo(a)fluoranthene
CID 9146
Dibenzo(a,e)fluoranthene
CID 21480
Benz(j)aceanthrylene
CID 104987

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-9-phenyl-9H-fluorene?
The IUPAC name of 4-benzyl-9-phenyl-9H-fluorene (CID 175580002) is 4-benzyl-9-phenyl-9H-fluorene.
What is the SMILES notation for 4-benzyl-9-phenyl-9H-fluorene?
The canonical SMILES for 4-benzyl-9-phenyl-9H-fluorene is c1ccc(Cc2cccc3c2-c2ccccc2C3c2ccccc2)cc1.
What is the InChIKey of 4-benzyl-9-phenyl-9H-fluorene?
The InChIKey is REGKIJBQKQLFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20/c1-3-10-19(11-4-1)18-21-14-9-17-24-25(20-12-5-2-6-13-20)22-15-7-8-16-23(22)26(21)24/h1-17,25H,18H2.
What are the key properties of 4-benzyl-9-phenyl-9H-fluorene?
4-benzyl-9-phenyl-9H-fluorene has a molecular weight of 332.45 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-9-phenyl-9H-fluorene is sourced from PubChem (CID 175580002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).