1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene

C33H26 — CID 145108730

IUPAC1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
SMILESCc1ccccc1-c1cc(-c2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)ccc1C
InChIInChI=1S/C33H26/c1-22-8-3-5-10-28(22)32-20-26(15-14-23(32)2)24-16-18-25(19-17-24)29-12-7-13-31-30-11-6-4-9-27(30)21-33(29)31/h3-20H,21H2,1-2H3
InChIKeySJRINUUAZNNTMB-UHFFFAOYSA-N
MW422.57 g/mol
LogP8.88
Rot. Bonds3

About 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene

1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene (PubChem CID 145108730) has the molecular formula C33H26 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene.

Molecular Properties

Compound Name1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
PubChem CID145108730
Molecular FormulaC33H26
Molecular Weight422.57 g/mol
Exact Mass422.20
IUPAC Name1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene
SMILESCc1ccccc1-c1cc(-c2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)ccc1C
InChIInChI=1S/C33H26/c1-22-8-3-5-10-28(22)32-20-26(15-14-23(32)2)24-16-18-25(19-17-24)29-12-7-13-31-30-11-6-4-9-27(30)21-33(29)31/h3-20H,21H2,1-2H3
InChIKeySJRINUUAZNNTMB-UHFFFAOYSA-N
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene?
The IUPAC name of 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene (CID 145108730) is 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene.
What is the SMILES notation for 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene?
The canonical SMILES for 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene is Cc1ccccc1-c1cc(-c2ccc(-c3cccc4c3Cc3ccccc3-4)cc2)ccc1C.
What is the InChIKey of 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene?
The InChIKey is SJRINUUAZNNTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26/c1-22-8-3-5-10-28(22)32-20-26(15-14-23(32)2)24-16-18-25(19-17-24)29-12-7-13-31-30-11-6-4-9-27(30)21-33(29)31/h3-20H,21H2,1-2H3.
What are the key properties of 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene?
1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene has a molecular weight of 422.57 g/mol, XLogP of 8.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluorene is sourced from PubChem (CID 145108730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).