2,2',7'-trimethyl-9,9'-spirobi[fluorene]

C28H22 — CID 20807057

IUPAC2,2',7'-trimethyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C28H22/c1-17-8-11-21-20-6-4-5-7-24(20)28(25(21)14-17)26-15-18(2)9-12-22(26)23-13-10-19(3)16-27(23)28/h4-16H,1-3H3
InChIKeySKIHJJIUORCDMD-UHFFFAOYSA-N
MW358.48 g/mol
LogP6.96
Rot. Bonds

About 2,2',7'-trimethyl-9,9'-spirobi[fluorene]

2,2',7'-trimethyl-9,9'-spirobi[fluorene] (PubChem CID 20807057) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2,2',7'-trimethyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2,2',7'-trimethyl-9,9'-spirobi[fluorene]
PubChem CID20807057
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name2,2',7'-trimethyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C28H22/c1-17-8-11-21-20-6-4-5-7-24(20)28(25(21)14-17)26-15-18(2)9-12-22(26)23-13-10-19(3)16-27(23)28/h4-16H,1-3H3
InChIKeySKIHJJIUORCDMD-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

CID 58607554
CID 58607554
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
3-methyl-9,9'-spirobi[fluorene]-2',7'-diamine
CID 121368255
2-methyl-2'-[(2-methyl-9,9'-spirobi[fluorene]-2'-yl)sulfinyl]-9,9'-spirobi[fluorene]
CID 59167173
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
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
(3Z,5Z)-hepta-1,3,5-triene;2-methyl-9,9'-spirobi[fluorene]
CID 144810497
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373
[2'-bis(4-methylphenyl)phosphanyl-9,9'-spirobi[fluorene]-2-yl]-bis(4-methylphenyl)phosphane
CID 101402918

Frequently Asked Questions

What is the IUPAC name of 2,2',7'-trimethyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2,2',7'-trimethyl-9,9'-spirobi[fluorene] (CID 20807057) is 2,2',7'-trimethyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2,2',7'-trimethyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2,2',7'-trimethyl-9,9'-spirobi[fluorene] is Cc1ccc2c(c1)C1(c3ccccc3-2)c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 2,2',7'-trimethyl-9,9'-spirobi[fluorene]?
The InChIKey is SKIHJJIUORCDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-17-8-11-21-20-6-4-5-7-24(20)28(25(21)14-17)26-15-18(2)9-12-22(26)23-13-10-19(3)16-27(23)28/h4-16H,1-3H3.
What are the key properties of 2,2',7'-trimethyl-9,9'-spirobi[fluorene]?
2,2',7'-trimethyl-9,9'-spirobi[fluorene] has a molecular weight of 358.48 g/mol, XLogP of 6.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',7'-trimethyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 20807057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).