(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]

C28H24O — CID 142611509

IUPAC(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]
SMILESC=C1/C(=C\C(=C)C(C)C)C2(c3ccccc3Oc3ccccc32)c2ccccc21
InChIInChI=1S/C28H24O/c1-18(2)19(3)17-25-20(4)21-11-5-6-12-22(21)28(25)23-13-7-9-15-26(23)29-27-16-10-8-14-24(27)28/h5-18H,3-4H2,1-2H3/b25-17+
InChIKeyUZWPOUGFDPOURD-KOEQRZSOSA-N
MW376.50 g/mol
LogP7.29
Rot. Bonds2

About (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]

(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene] (PubChem CID 142611509) has the molecular formula C28H24O and a molecular weight of 376.50 g/mol. Its IUPAC name is (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene].

Molecular Properties

Compound Name(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]
PubChem CID142611509
Molecular FormulaC28H24O
Molecular Weight376.50 g/mol
Exact Mass376.18
IUPAC Name(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]
SMILESC=C1/C(=C\C(=C)C(C)C)C2(c3ccccc3Oc3ccccc32)c2ccccc21
InChIInChI=1S/C28H24O/c1-18(2)19(3)17-25-20(4)21-11-5-6-12-22(21)28(25)23-13-7-9-15-26(23)29-27-16-10-8-14-24(27)28/h5-18H,3-4H2,1-2H3/b25-17+
InChIKeyUZWPOUGFDPOURD-KOEQRZSOSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]
CID 144995152
spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,9'-xanthene]
CID 171743028
spiro[fluorene-9,9'-thioxanthene];spiro[fluorene-9,9'-xanthene]
CID 159396129
1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018138
1-[8-(9,9-dimethylxanthen-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333834
9-(2-naphthalen-1-ylphenyl)xanthen-9-ol
CID 118521018
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
2'-[(2'E)-2'-ethylidene-3'-(6-methylidenecyclohexa-2,4-dien-1-ylidene)spiro[fluorene-9,1'-indene]-3-yl]spiro[fluorene-9,9'-xanthene]
CID 174088764
methoxy(spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene-14,9'-xanthene]-2'-yl)borinic acid
CID 145092854
4-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylquinazoline
CID 139306525
9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 170019541

Frequently Asked Questions

What is the IUPAC name of (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]?
The IUPAC name of (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene] (CID 142611509) is (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene].
What is the SMILES notation for (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]?
The canonical SMILES for (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene] is C=C1/C(=C\C(=C)C(C)C)C2(c3ccccc3Oc3ccccc32)c2ccccc21.
What is the InChIKey of (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]?
The InChIKey is UZWPOUGFDPOURD-KOEQRZSOSA-N. The full InChI is InChI=1S/C28H24O/c1-18(2)19(3)17-25-20(4)21-11-5-6-12-22(21)28(25)23-13-7-9-15-26(23)29-27-16-10-8-14-24(27)28/h5-18H,3-4H2,1-2H3/b25-17+.
What are the key properties of (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]?
(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene] has a molecular weight of 376.50 g/mol, XLogP of 7.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene] is sourced from PubChem (CID 142611509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).