1',3'-dimethyl-9,9'-spirobi[fluorene]

C27H20 — CID 169054935

IUPAC1',3'-dimethyl-9,9'-spirobi[fluorene]
SMILESCc1cc(C)c2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C27H20/c1-17-15-18(2)26-22(16-17)21-11-5-8-14-25(21)27(26)23-12-6-3-9-19(23)20-10-4-7-13-24(20)27/h3-16H,1-2H3
InChIKeyDUXQQFMFWZOAHZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.65
Rot. Bonds

About 1',3'-dimethyl-9,9'-spirobi[fluorene]

1',3'-dimethyl-9,9'-spirobi[fluorene] (PubChem CID 169054935) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1',3'-dimethyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1',3'-dimethyl-9,9'-spirobi[fluorene]
PubChem CID169054935
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name1',3'-dimethyl-9,9'-spirobi[fluorene]
SMILESCc1cc(C)c2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C27H20/c1-17-15-18(2)26-22(16-17)21-11-5-8-14-25(21)27(26)23-12-6-3-9-19(23)20-10-4-7-13-24(20)27/h3-16H,1-2H3
InChIKeyDUXQQFMFWZOAHZ-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

4-[9-(4-amino-2,6-dimethylphenyl)fluoren-9-yl]-3,5-dimethylaniline
CID 18624407
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
CID 170621532
[6-bis(2,4,6-trimethylphenyl)boranyl-9,9'-spirobi[fluorene]-3-yl]-bis(2,4,6-trimethylphenyl)borane
CID 123559621
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2,4-dimethyl-9,9-diphenylfluorene
CID 144876512
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
CID 159307684
3-methyl-9,9'-spirobi[fluorene]-3'-amine
CID 142477191
CID 58607554
CID 58607554

Frequently Asked Questions

What is the IUPAC name of 1',3'-dimethyl-9,9'-spirobi[fluorene]?
The IUPAC name of 1',3'-dimethyl-9,9'-spirobi[fluorene] (CID 169054935) is 1',3'-dimethyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 1',3'-dimethyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 1',3'-dimethyl-9,9'-spirobi[fluorene] is Cc1cc(C)c2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 1',3'-dimethyl-9,9'-spirobi[fluorene]?
The InChIKey is DUXQQFMFWZOAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-17-15-18(2)26-22(16-17)21-11-5-8-14-25(21)27(26)23-12-6-3-9-19(23)20-10-4-7-13-24(20)27/h3-16H,1-2H3.
What are the key properties of 1',3'-dimethyl-9,9'-spirobi[fluorene]?
1',3'-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 1',3'-dimethyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 169054935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).