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

C42H48F2N2 — CID 78105669

IUPAC2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole
SMILESCCCN1C(=CC=C2CCCC(C=CC3N(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
InChIKeyVOVSITVXXGSRDW-UHFFFAOYSA-N
MW618.86 g/mol
LogP11.05
Rot. Bonds8

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

2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole (PubChem CID 78105669) has the molecular formula C42H48F2N2 and a molecular weight of 618.86 g/mol. Its IUPAC name is 2-[2-[2-(2,3-difluorophenyl)-3-[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 Name2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole
PubChem CID78105669
Molecular FormulaC42H48F2N2
Molecular Weight618.86 g/mol
Exact Mass618.38
IUPAC Name2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole
SMILESCCCN1C(=CC=C2CCCC(C=CC3N(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
InChIKeyVOVSITVXXGSRDW-UHFFFAOYSA-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 2-[2-[2-(2,3-difluorophenyl)-3-[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 2-[2-[2-(2,3-difluorophenyl)-3-[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 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole (CID 78105669) is 2-[2-[2-(2,3-difluorophenyl)-3-[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 2-[2-[2-(2,3-difluorophenyl)-3-[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 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole is CCCN1C(=CC=C2CCCC(C=CC3N(CCC)c4ccccc4C3(C)C)=C2c2cccc(F)c2F)C(C)(C)c2ccccc21.
What is the InChIKey of 2-[2-[2-(2,3-difluorophenyl)-3-[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-UHFFFAOYSA-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.
What are the key properties of 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole?
2-[2-[2-(2,3-difluorophenyl)-3-[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 2-[2-[2-(2,3-difluorophenyl)-3-[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 78105669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).