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

C26H17Br — CID 123165749

IUPAC4-bromo-4'-methyl-9,9'-spirobi[fluorene]
SMILESCc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(Br)cccc21
InChIInChI=1S/C26H17Br/c1-16-8-6-13-21-24(16)17-9-2-4-11-19(17)26(21)20-12-5-3-10-18(20)25-22(26)14-7-15-23(25)27/h2-15H,1H3
InChIKeyZTCWUXBMYJVGDH-UHFFFAOYSA-N
MW409.33 g/mol
LogP7.10
Rot. Bonds

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

4-bromo-4'-methyl-9,9'-spirobi[fluorene] (PubChem CID 123165749) has the molecular formula C26H17Br and a molecular weight of 409.33 g/mol. Its IUPAC name is 4-bromo-4'-methyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name4-bromo-4'-methyl-9,9'-spirobi[fluorene]
PubChem CID123165749
Molecular FormulaC26H17Br
Molecular Weight409.33 g/mol
Exact Mass408.05
IUPAC Name4-bromo-4'-methyl-9,9'-spirobi[fluorene]
SMILESCc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(Br)cccc21
InChIInChI=1S/C26H17Br/c1-16-8-6-13-21-24(16)17-9-2-4-11-19(17)26(21)20-12-5-3-10-18(20)25-22(26)14-7-15-23(25)27/h2-15H,1H3
InChIKeyZTCWUXBMYJVGDH-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314
4-methyl-9,9-diphenylfluorene
CID 123595050
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-methyl-9-(2-methylphenyl)-9-phenylfluorene
CID 145360950
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
4-bromospiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 134528270
4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 141481966

Frequently Asked Questions

What is the IUPAC name of 4-bromo-4'-methyl-9,9'-spirobi[fluorene]?
The IUPAC name of 4-bromo-4'-methyl-9,9'-spirobi[fluorene] (CID 123165749) is 4-bromo-4'-methyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 4-bromo-4'-methyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 4-bromo-4'-methyl-9,9'-spirobi[fluorene] is Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2c(Br)cccc21.
What is the InChIKey of 4-bromo-4'-methyl-9,9'-spirobi[fluorene]?
The InChIKey is ZTCWUXBMYJVGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br/c1-16-8-6-13-21-24(16)17-9-2-4-11-19(17)26(21)20-12-5-3-10-18(20)25-22(26)14-7-15-23(25)27/h2-15H,1H3.
What are the key properties of 4-bromo-4'-methyl-9,9'-spirobi[fluorene]?
4-bromo-4'-methyl-9,9'-spirobi[fluorene] has a molecular weight of 409.33 g/mol, XLogP of 7.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-4'-methyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 123165749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).