4'-methyl-9,9'-spirobi[fluorene]

C26H18 — CID 91359179

IUPAC4'-methyl-9,9'-spirobi[fluorene]
SMILESCc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H18/c1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26/h2-16H,1H3
InChIKeyWJQCTBCLFYFXHE-UHFFFAOYSA-N
MW330.43 g/mol
LogP6.34
Rot. Bonds

About 4'-methyl-9,9'-spirobi[fluorene]

4'-methyl-9,9'-spirobi[fluorene] (PubChem CID 91359179) has the molecular formula C26H18 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4'-methyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4'-methyl-9,9'-spirobi[fluorene]
PubChem CID91359179
Molecular FormulaC26H18
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name4'-methyl-9,9'-spirobi[fluorene]
SMILESCc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H18/c1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26/h2-16H,1H3
InChIKeyWJQCTBCLFYFXHE-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
4-methyl-9,9-diphenylfluorene
CID 123595050
4-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]
CID 144864353
ethane;4,9,9-trimethylfluorene
CID 123917181
2-methyl-2'-[4-[(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]phenyl]sulfinyl-9,9'-spirobi[fluorene]
CID 134550597

Frequently Asked Questions

What is the IUPAC name of 4'-methyl-9,9'-spirobi[fluorene]?
The IUPAC name of 4'-methyl-9,9'-spirobi[fluorene] (CID 91359179) is 4'-methyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 4'-methyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 4'-methyl-9,9'-spirobi[fluorene] is Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4'-methyl-9,9'-spirobi[fluorene]?
The InChIKey is WJQCTBCLFYFXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18/c1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26/h2-16H,1H3.
What are the key properties of 4'-methyl-9,9'-spirobi[fluorene]?
4'-methyl-9,9'-spirobi[fluorene] has a molecular weight of 330.43 g/mol, XLogP of 6.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 91359179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).