(3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene

C22H21I — CID 173487014

IUPAC(3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene
SMILESCC=C1/C(=C\C=C\c2ccc(I)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C22H21I/c1-4-20-18(10-7-8-16-12-14-17(23)15-13-16)19-9-5-6-11-21(19)22(20,2)3/h4-15H,1-3H3/b8-7+,18-10-,20-4?
InChIKeyVTZMBSVHDHNZFM-ORLAMNFESA-N
MW412.31 g/mol
LogP6.63
Rot. Bonds2

About (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene

(3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene (PubChem CID 173487014) has the molecular formula C22H21I and a molecular weight of 412.31 g/mol. Its IUPAC name is (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene.

Molecular Properties

Compound Name(3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene
PubChem CID173487014
Molecular FormulaC22H21I
Molecular Weight412.31 g/mol
Exact Mass412.07
IUPAC Name(3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene
SMILESCC=C1/C(=C\C=C\c2ccc(I)cc2)c2ccccc2C1(C)C
InChIInChI=1S/C22H21I/c1-4-20-18(10-7-8-16-12-14-17(23)15-13-16)19-9-5-6-11-21(19)22(20,2)3/h4-15H,1-3H3/b8-7+,18-10-,20-4?
InChIKeyVTZMBSVHDHNZFM-ORLAMNFESA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,3E)-3-ethylidene-1,1-dimethyl-2-(2-methylprop-2-enylidene)indene
CID 143938225
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
(3'E)-3'-[(Z)-but-2-enylidene]-6'-iodo-2'-methylidenespiro[fluorene-9,1'-indene]
CID 89138231
(3E)-N-[(Z)-[(3Z)-1,1-dimethyl-3-prop-2-enylideneinden-2-ylidene]methyl]-1-phenylhexa-1,3,5-trien-3-amine
CID 145362304
1-[(E)-2-bromoethenyl]-4-iodobenzene
CID 45358242
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
CID 72540036
5-iodo-7,7-dimethylbenzo[c]fluorene
CID 144938890
N-[(E,3E)-3-(3,3-dimethyl-2-methylideneinden-1-ylidene)prop-1-enyl]-9,9-dimethylfluoren-2-amine
CID 130353860
(2E)-2-[(4-bromophenyl)methylidene]-3,3-dimethylinden-1-one
CID 118100348
(2Z)-6-iodo-1,1-dimethyl-3-prop-2-enylidene-2-propylideneindene
CID 173486701
N-(4-iodophenyl)-3-phenylprop-2-en-1-imine
CID 554999

Frequently Asked Questions

What is the IUPAC name of (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene?
The IUPAC name of (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene (CID 173487014) is (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene.
What is the SMILES notation for (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene?
The canonical SMILES for (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene is CC=C1/C(=C\C=C\c2ccc(I)cc2)c2ccccc2C1(C)C.
What is the InChIKey of (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene?
The InChIKey is VTZMBSVHDHNZFM-ORLAMNFESA-N. The full InChI is InChI=1S/C22H21I/c1-4-20-18(10-7-8-16-12-14-17(23)15-13-16)19-9-5-6-11-21(19)22(20,2)3/h4-15H,1-3H3/b8-7+,18-10-,20-4?.
What are the key properties of (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene?
(3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene has a molecular weight of 412.31 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-ethylidene-3-[(E)-3-(4-iodophenyl)prop-2-enylidene]-1,1-dimethylindene is sourced from PubChem (CID 173487014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).