9-methyl-9-(9-methylfluoren-9-yl)fluorene

C28H22 — CID 6424844

IUPAC9-methyl-9-(9-methylfluoren-9-yl)fluorene
SMILESCC1(C2(C)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H22/c1-27(23-15-7-3-11-19(23)20-12-4-8-16-24(20)27)28(2)25-17-9-5-13-21(25)22-14-6-10-18-26(22)28/h3-18H,1-2H3
InChIKeyBEIJHYAUFZZZRP-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.96
Rot. Bonds1

About 9-methyl-9-(9-methylfluoren-9-yl)fluorene

9-methyl-9-(9-methylfluoren-9-yl)fluorene (PubChem CID 6424844) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 9-methyl-9-(9-methylfluoren-9-yl)fluorene.

Molecular Properties

Compound Name9-methyl-9-(9-methylfluoren-9-yl)fluorene
PubChem CID6424844
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name9-methyl-9-(9-methylfluoren-9-yl)fluorene
SMILESCC1(C2(C)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C28H22/c1-27(23-15-7-3-11-19(23)20-12-4-8-16-24(20)27)28(2)25-17-9-5-13-21(25)22-14-6-10-18-26(22)28/h3-18H,1-2H3
InChIKeyBEIJHYAUFZZZRP-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Methylcholanthrene
CID 1674
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
o-Quaterphenyl
CID 12549
9,9-Dimethylfluorene
CID 78325
Rubicene
CID 67454
1,1,1,2-Tetraphenylethane
CID 137531
9,9-Diphenylfluorene
CID 413569
1,1,3-Triphenylindene
CID 423586
1,1',1'',1'''-Methanetetrayltetrakis(benzene)
CID 12424
1-Methyl-3-phenylindane
CID 22924
Diindeno(1,2,3-cd:1',2',3'-lm)perylene
CID 96712
9,9'-Bifluorene
CID 137063

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-(9-methylfluoren-9-yl)fluorene?
The IUPAC name of 9-methyl-9-(9-methylfluoren-9-yl)fluorene (CID 6424844) is 9-methyl-9-(9-methylfluoren-9-yl)fluorene.
What is the SMILES notation for 9-methyl-9-(9-methylfluoren-9-yl)fluorene?
The canonical SMILES for 9-methyl-9-(9-methylfluoren-9-yl)fluorene is CC1(C2(C)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-methyl-9-(9-methylfluoren-9-yl)fluorene?
The InChIKey is BEIJHYAUFZZZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-27(23-15-7-3-11-19(23)20-12-4-8-16-24(20)27)28(2)25-17-9-5-13-21(25)22-14-6-10-18-26(22)28/h3-18H,1-2H3.
What are the key properties of 9-methyl-9-(9-methylfluoren-9-yl)fluorene?
9-methyl-9-(9-methylfluoren-9-yl)fluorene has a molecular weight of 358.48 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-(9-methylfluoren-9-yl)fluorene is sourced from PubChem (CID 6424844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).