ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene

C30H36 — CID 144920231

IUPACethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene
SMILESC.C=C/C=C1\C(=C)C(c2ccccc2)(c2ccccc2)c2ccccc21.CC.CC
InChIInChI=1S/C25H20.2C2H6.CH4/c1-3-12-22-19(2)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-18-11-10-17-23(22)24;2*1-2;/h3-18H,1-2H2;2*1-2H3;1H4/b22-12+;;;
InChIKeyMGZDWCRFYPUHNF-MLAORTLLSA-N
MW396.62 g/mol
LogP8.85
Rot. Bonds3

About ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene

ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene (PubChem CID 144920231) has the molecular formula C30H36 and a molecular weight of 396.62 g/mol. Its IUPAC name is ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene.

Molecular Properties

Compound Nameethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene
PubChem CID144920231
Molecular FormulaC30H36
Molecular Weight396.62 g/mol
Exact Mass396.28
IUPAC Nameethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene
SMILESC.C=C/C=C1\C(=C)C(c2ccccc2)(c2ccccc2)c2ccccc21.CC.CC
InChIInChI=1S/C25H20.2C2H6.CH4/c1-3-12-22-19(2)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-18-11-10-17-23(22)24;2*1-2;/h3-18H,1-2H2;2*1-2H3;1H4/b22-12+;;;
InChIKeyMGZDWCRFYPUHNF-MLAORTLLSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
2-methylidene-3-(2-methylpent-2-enylidene)-1,1-diphenylindene
CID 123471972
ethane;(2'E)-3'-methylidene-2'-prop-2-enylidenespiro[fluorene-9,1'-indene]
CID 144995152
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
(3'E)-3'-ethylidene-2,2',3-trimethylidene-1,1'-spirobi[indene]
CID 145077433
9,9-diphenylfluorene;ethane;fluoro(sulfanylidene)borane;methane;9,9'-spirobi[fluorene]
CID 160740129
2-[(1Z)-buta-1,3-dienyl]-3-methyl-1,1-diphenylindene;ethane
CID 144939111
2-ethenyl-3-methyl-1,1-diphenylindene
CID 142104314
N-[3-[(3E)-3-[(Z)-but-2-enylidene]-2-methylidene-1-phenylinden-1-yl]phenyl]dibenzofuran-4-amine
CID 167309836

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene?
The IUPAC name of ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene (CID 144920231) is ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene.
What is the SMILES notation for ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene?
The canonical SMILES for ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene is C.C=C/C=C1\C(=C)C(c2ccccc2)(c2ccccc2)c2ccccc21.CC.CC.
What is the InChIKey of ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene?
The InChIKey is MGZDWCRFYPUHNF-MLAORTLLSA-N. The full InChI is InChI=1S/C25H20.2C2H6.CH4/c1-3-12-22-19(2)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-18-11-10-17-23(22)24;2*1-2;/h3-18H,1-2H2;2*1-2H3;1H4/b22-12+;;;.
What are the key properties of ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene?
ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene has a molecular weight of 396.62 g/mol, XLogP of 8.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(3E)-2-methylidene-1,1-diphenyl-3-prop-2-enylideneindene is sourced from PubChem (CID 144920231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).