2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]

C31H28O — CID 167086192

IUPAC2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]
SMILESCCC(C)(C)c1cc(C)cc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C31H28O/c1-5-30(3,4)25-18-20(2)19-26-29(25)21-12-6-7-13-22(21)31(26)23-14-8-10-16-27(23)32-28-17-11-9-15-24(28)31/h6-19H,5H2,1-4H3
InChIKeyISXBYSKCVBKLCO-UHFFFAOYSA-N
MW416.56 g/mol
LogP8.15
Rot. Bonds2

About 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]

2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 167086192) has the molecular formula C31H28O and a molecular weight of 416.56 g/mol. Its IUPAC name is 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID167086192
Molecular FormulaC31H28O
Molecular Weight416.56 g/mol
Exact Mass416.21
IUPAC Name2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]
SMILESCCC(C)(C)c1cc(C)cc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C31H28O/c1-5-30(3,4)25-18-20(2)19-26-29(25)21-12-6-7-13-22(21)31(26)23-14-8-10-16-27(23)32-28-17-11-9-15-24(28)31/h6-19H,5H2,1-4H3
InChIKeyISXBYSKCVBKLCO-UHFFFAOYSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
CID 122222950
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
CID 166844859
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
2'-methyl-4'-(9-methyl-9-phenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018587
N,N-diethyl-2-(9,9'-spirobi[fluorene]-4-yl)propan-2-amine
CID 122543080
9,9-bis(3-tert-butylphenyl)-2-methylfluorene;2',7'-ditert-butyl-2-methyl-9,9'-spirobi[fluorene];2-methylspiro[fluorene-9,9'-xanthene];2'-methylspiro[fluorene-9,9'-xanthene];4'-methylspiro[fluorene-9,9'-xanthene]
CID 163917294
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
21-phenylspiro[hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene-9,9'-xanthene]
CID 133053903
2,4-dimethyl-9,9-diphenylfluorene
CID 144876512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene] (CID 167086192) is 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene] is CCC(C)(C)c1cc(C)cc2c1-c1ccccc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is ISXBYSKCVBKLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O/c1-5-30(3,4)25-18-20(2)19-26-29(25)21-12-6-7-13-22(21)31(26)23-14-8-10-16-27(23)32-28-17-11-9-15-24(28)31/h6-19H,5H2,1-4H3.
What are the key properties of 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]?
2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 416.56 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 167086192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).