(2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole

C42H48F2N2 — CID 71544444

IUPAC(2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole
SMILESCCCN1/C(=C/C=C2\CCCC(/C=C/C3N(CCC)c4ccccc4C3(C)C)=C2c2cccc(F)c2F)C(C)(C)c2ccccc21
InChIInChI=1S/C42H48F2N2/c1-7-27-45-35-21-11-9-18-32(35)41(3,4)37(45)25-23-29-15-13-16-30(39(29)31-17-14-20-34(43)40(31)44)24-26-38-42(5,6)33-19-10-12-22-36(33)46(38)28-8-2/h9-12,14,17-26,37H,7-8,13,15-16,27-28H2,1-6H3/b25-23+,30-24+,38-26+
InChIKeyVOVSITVXXGSRDW-FRZQOMMBSA-N
MW618.86 g/mol
LogP11.05
Rot. Bonds8

About (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole

(2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole (PubChem CID 71544444) has the molecular formula C42H48F2N2 and a molecular weight of 618.86 g/mol. Its IUPAC name is (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole.

Molecular Properties

Compound Name(2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole
PubChem CID71544444
Molecular FormulaC42H48F2N2
Molecular Weight618.86 g/mol
Exact Mass618.38
IUPAC Name(2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole
SMILESCCCN1/C(=C/C=C2\CCCC(/C=C/C3N(CCC)c4ccccc4C3(C)C)=C2c2cccc(F)c2F)C(C)(C)c2ccccc21
InChIInChI=1S/C42H48F2N2/c1-7-27-45-35-21-11-9-18-32(35)41(3,4)37(45)25-23-29-15-13-16-30(39(29)31-17-14-20-34(43)40(31)44)24-26-38-42(5,6)33-19-10-12-22-36(33)46(38)28-8-2/h9-12,14,17-26,37H,7-8,13,15-16,27-28H2,1-6H3/b25-23+,30-24+,38-26+
InChIKeyVOVSITVXXGSRDW-FRZQOMMBSA-N
XLogP11.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.86
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole?
The IUPAC name of (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole (CID 71544444) is (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole.
What is the SMILES notation for (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole?
The canonical SMILES for (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole is CCCN1/C(=C/C=C2\CCCC(/C=C/C3N(CCC)c4ccccc4C3(C)C)=C2c2cccc(F)c2F)C(C)(C)c2ccccc21.
What is the InChIKey of (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole?
The InChIKey is VOVSITVXXGSRDW-FRZQOMMBSA-N. The full InChI is InChI=1S/C42H48F2N2/c1-7-27-45-35-21-11-9-18-32(35)41(3,4)37(45)25-23-29-15-13-16-30(39(29)31-17-14-20-34(43)40(31)44)24-26-38-42(5,6)33-19-10-12-22-36(33)46(38)28-8-2/h9-12,14,17-26,37H,7-8,13,15-16,27-28H2,1-6H3/b25-23+,30-24+,38-26+.
What are the key properties of (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole?
(2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole has a molecular weight of 618.86 g/mol, XLogP of 11.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2E)-2-[2-(2,3-difluorophenyl)-3-[(E)-2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole is sourced from PubChem (CID 71544444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).