3,4'-dimethyl-9,9'-spirobi[fluorene]

C27H20 — CID 145204038

IUPAC3,4'-dimethyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(C)cccc21
InChIInChI=1S/C27H20/c1-17-14-15-24-21(16-17)19-9-3-5-11-22(19)27(24)23-12-6-4-10-20(23)26-18(2)8-7-13-25(26)27/h3-16H,1-2H3
InChIKeyKHIUTRAWLPDUEA-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.65
Rot. Bonds

About 3,4'-dimethyl-9,9'-spirobi[fluorene]

3,4'-dimethyl-9,9'-spirobi[fluorene] (PubChem CID 145204038) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3,4'-dimethyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name3,4'-dimethyl-9,9'-spirobi[fluorene]
PubChem CID145204038
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name3,4'-dimethyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(C)cccc21
InChIInChI=1S/C27H20/c1-17-14-15-24-21(16-17)19-9-3-5-11-22(19)27(24)23-12-6-4-10-20(23)26-18(2)8-7-13-25(26)27/h3-16H,1-2H3
InChIKeyKHIUTRAWLPDUEA-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene)
CID 160627919
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
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 159829393
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;bis(4-methyl-9,9-diphenylfluorene);1,9,9-trimethylfluorene
CID 159806985
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887

Frequently Asked Questions

What is the IUPAC name of 3,4'-dimethyl-9,9'-spirobi[fluorene]?
The IUPAC name of 3,4'-dimethyl-9,9'-spirobi[fluorene] (CID 145204038) is 3,4'-dimethyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 3,4'-dimethyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 3,4'-dimethyl-9,9'-spirobi[fluorene] is Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(C)cccc21.
What is the InChIKey of 3,4'-dimethyl-9,9'-spirobi[fluorene]?
The InChIKey is KHIUTRAWLPDUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-17-14-15-24-21(16-17)19-9-3-5-11-22(19)27(24)23-12-6-4-10-20(23)26-18(2)8-7-13-25(26)27/h3-16H,1-2H3.
What are the key properties of 3,4'-dimethyl-9,9'-spirobi[fluorene]?
3,4'-dimethyl-9,9'-spirobi[fluorene] has a molecular weight of 344.46 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4'-dimethyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 145204038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).