2,7-dimethylspiro[fluorene-9,9'-xanthene]

C27H20O — CID 58250911

IUPAC2,7-dimethylspiro[fluorene-9,9'-xanthene]
SMILESCc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1-2
InChIInChI=1S/C27H20O/c1-17-11-13-19-20-14-12-18(2)16-24(20)27(23(19)15-17)21-7-3-5-9-25(21)28-26-10-6-4-8-22(26)27/h3-16H,1-2H3
InChIKeyTZELMZHPSCMGGX-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.77
Rot. Bonds

About 2,7-dimethylspiro[fluorene-9,9'-xanthene]

2,7-dimethylspiro[fluorene-9,9'-xanthene] (PubChem CID 58250911) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,7-dimethylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2,7-dimethylspiro[fluorene-9,9'-xanthene]
PubChem CID58250911
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Name2,7-dimethylspiro[fluorene-9,9'-xanthene]
SMILESCc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1-2
InChIInChI=1S/C27H20O/c1-17-11-13-19-20-14-12-18(2)16-24(20)27(23(19)15-17)21-7-3-5-9-25(21)28-26-10-6-4-8-22(26)27/h3-16H,1-2H3
InChIKeyTZELMZHPSCMGGX-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
CID 58607554
CID 58607554
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
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
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
9,9-bis(3-methylphenyl)xanthene
CID 23542272
2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965533
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
4-[7-[2-(4-methylphenyl)-6-phenylpyridin-1-ium-4-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-2,6-diphenylpyridine
CID 142509797
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2,7-dimethylspiro[fluorene-9,9'-xanthene] (CID 58250911) is 2,7-dimethylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2,7-dimethylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2,7-dimethylspiro[fluorene-9,9'-xanthene] is Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(C)ccc1-2.
What is the InChIKey of 2,7-dimethylspiro[fluorene-9,9'-xanthene]?
The InChIKey is TZELMZHPSCMGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20O/c1-17-11-13-19-20-14-12-18(2)16-24(20)27(23(19)15-17)21-7-3-5-9-25(21)28-26-10-6-4-8-22(26)27/h3-16H,1-2H3.
What are the key properties of 2,7-dimethylspiro[fluorene-9,9'-xanthene]?
2,7-dimethylspiro[fluorene-9,9'-xanthene] has a molecular weight of 360.46 g/mol, XLogP of 6.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 58250911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).