ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]

C29H30 — CID 144995152

IUPACethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]
SMILESC=C/C=C1\C(=C)c2ccccc2C12c1ccccc1-c1ccccc12.CC.CC
InChIInChI=1S/C25H18.2C2H6/c1-3-10-21-17(2)18-11-4-7-14-22(18)25(21)23-15-8-5-12-19(23)20-13-6-9-16-24(20)25;2*1-2/h3-16H,1-2H2;2*1-2H3/b21-10+;;
InChIKeyGSUCOHMSAMDITR-GDUPHPTFSA-N
MW378.56 g/mol
LogP8.19
Rot. Bonds1

About ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]

ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene] (PubChem CID 144995152) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene].

Molecular Properties

Compound Nameethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]
PubChem CID144995152
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Nameethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]
SMILESC=C/C=C1\C(=C)c2ccccc2C12c1ccccc1-c1ccccc12.CC.CC
InChIInChI=1S/C25H18.2C2H6/c1-3-10-21-17(2)18-11-4-7-14-22(18)25(21)23-15-8-5-12-19(23)20-13-6-9-16-24(20)25;2*1-2/h3-16H,1-2H2;2*1-2H3/b21-10+;;
InChIKeyGSUCOHMSAMDITR-GDUPHPTFSA-N
XLogP8.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
CID 59027683
ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene
CID 144920231
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]
CID 145077433
(2E)-3-methylidene-2-(3-methyl-2-methylidenebutylidene)spiro[indene-1,9'-xanthene]
CID 142611509
(2'E)-2,3-dimethyl-1'-methylidene-1,4-bis[(Z)-prop-1-enyl]-2'-prop-2-enylidenespiro[cyclopenta-1,3-diene-5,3'-indene]-5'-thiol
CID 143828485
1,1-difluoro-2,3-dimethylideneindene
CID 123480642
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785
2'-[(1Z)-buta-1,3-dienyl]-3'-methylspiro[fluorene-9,1'-indene]
CID 154561467
3,3'-bis(ethenyl)-2,2'-bis[(Z)-prop-1-enyl]-1,1'-spirobi[indene]
CID 145204058
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803

Frequently Asked Questions

What is the IUPAC name of ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]?
The IUPAC name of ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene] (CID 144995152) is ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene].
What is the SMILES notation for ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]?
The canonical SMILES for ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene] is C=C/C=C1\C(=C)c2ccccc2C12c1ccccc1-c1ccccc12.CC.CC.
What is the InChIKey of ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]?
The InChIKey is GSUCOHMSAMDITR-GDUPHPTFSA-N. The full InChI is InChI=1S/C25H18.2C2H6/c1-3-10-21-17(2)18-11-4-7-14-22(18)25(21)23-15-8-5-12-19(23)20-13-6-9-16-24(20)25;2*1-2/h3-16H,1-2H2;2*1-2H3/b21-10+;;.
What are the key properties of ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]?
ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene] has a molecular weight of 378.56 g/mol, XLogP of 8.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene] is sourced from PubChem (CID 144995152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).