1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]

C33H30O — CID 122222950

IUPAC1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
SMILESCc1cc(C)c(C2=C(c3c(C)cc(C)cc3C)C23c2ccccc2Oc2ccccc23)c(C)c1
InChIInChI=1S/C33H30O/c1-19-15-21(3)29(22(4)16-19)31-32(30-23(5)17-20(2)18-24(30)6)33(31)25-11-7-9-13-27(25)34-28-14-10-8-12-26(28)33/h7-18H,1-6H3
InChIKeyFLTWRIFMOWYAQE-UHFFFAOYSA-N
MW442.60 g/mol
LogP8.55
Rot. Bonds2

About 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]

1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene] (PubChem CID 122222950) has the molecular formula C33H30O and a molecular weight of 442.60 g/mol. Its IUPAC name is 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene].

Molecular Properties

Compound Name1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
PubChem CID122222950
Molecular FormulaC33H30O
Molecular Weight442.60 g/mol
Exact Mass442.23
IUPAC Name1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
SMILESCc1cc(C)c(C2=C(c3c(C)cc(C)cc3C)C23c2ccccc2Oc2ccccc23)c(C)c1
InChIInChI=1S/C33H30O/c1-19-15-21(3)29(22(4)16-19)31-32(30-23(5)17-20(2)18-24(30)6)33(31)25-11-7-9-13-27(25)34-28-14-10-8-12-26(28)33/h7-18H,1-6H3
InChIKeyFLTWRIFMOWYAQE-UHFFFAOYSA-N
XLogP8.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
9,9-bis(3-methylphenyl)xanthene
CID 23542272
4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70425072
1,3-dimethyldibenzo-p-dioxin
CID 131860997
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
CID 58608940
2-methyl-7-(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965145
2-methyl-4-(2-methylbutan-2-yl)spiro[fluorene-9,9'-xanthene]
CID 167086192
3-methyl-4-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]
CID 140947694
2,4-dimethyl-9,9-diphenylfluorene
CID 144876512
N,N,9-trimethylxanthen-9-amine
CID 68833214
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]?
The IUPAC name of 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene] (CID 122222950) is 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene].
What is the SMILES notation for 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]?
The canonical SMILES for 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene] is Cc1cc(C)c(C2=C(c3c(C)cc(C)cc3C)C23c2ccccc2Oc2ccccc23)c(C)c1.
What is the InChIKey of 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]?
The InChIKey is FLTWRIFMOWYAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O/c1-19-15-21(3)29(22(4)16-19)31-32(30-23(5)17-20(2)18-24(30)6)33(31)25-11-7-9-13-27(25)34-28-14-10-8-12-26(28)33/h7-18H,1-6H3.
What are the key properties of 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]?
1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene] has a molecular weight of 442.60 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene] is sourced from PubChem (CID 122222950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).