2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol

C42H48F2N2O — CID 123723803

IUPAC2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol
SMILESCCCN1C(=CC=C2CCCC(C=CC3(O)N(CCC)c4ccccc4C3(C)C)=C2c2cccc(F)c2F)C(C)(C)c2ccccc21
InChIInChI=1S/C42H48F2N2O/c1-7-27-45-35-21-11-9-18-32(35)40(3,4)37(45)24-23-29-15-13-16-30(38(29)31-17-14-20-34(43)39(31)44)25-26-42(47)41(5,6)33-19-10-12-22-36(33)46(42)28-8-2/h9-12,14,17-26,47H,7-8,13,15-16,27-28H2,1-6H3
InChIKeyNQBRNFUDMFVVPN-UHFFFAOYSA-N
MW634.86 g/mol
LogP10.37
Rot. Bonds8

About 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol

2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol (PubChem CID 123723803) has the molecular formula C42H48F2N2O and a molecular weight of 634.86 g/mol. Its IUPAC name is 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol.

Molecular Properties

Compound Name2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol
PubChem CID123723803
Molecular FormulaC42H48F2N2O
Molecular Weight634.86 g/mol
Exact Mass634.37
IUPAC Name2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol
SMILESCCCN1C(=CC=C2CCCC(C=CC3(O)N(CCC)c4ccccc4C3(C)C)=C2c2cccc(F)c2F)C(C)(C)c2ccccc21
InChIInChI=1S/C42H48F2N2O/c1-7-27-45-35-21-11-9-18-32(35)40(3,4)37(45)24-23-29-15-13-16-30(38(29)31-17-14-20-34(43)39(31)44)25-26-42(47)41(5,6)33-19-10-12-22-36(33)46(42)28-8-2/h9-12,14,17-26,47H,7-8,13,15-16,27-28H2,1-6H3
InChIKeyNQBRNFUDMFVVPN-UHFFFAOYSA-N
XLogP10.37
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.86
LogP ≤ 510.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol 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-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol?
The IUPAC name of 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol (CID 123723803) is 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol.
What is the SMILES notation for 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol?
The canonical SMILES for 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol is CCCN1C(=CC=C2CCCC(C=CC3(O)N(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-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol?
The InChIKey is NQBRNFUDMFVVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48F2N2O/c1-7-27-45-35-21-11-9-18-32(35)40(3,4)37(45)24-23-29-15-13-16-30(38(29)31-17-14-20-34(43)39(31)44)25-26-42(47)41(5,6)33-19-10-12-22-36(33)46(42)28-8-2/h9-12,14,17-26,47H,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-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol?
2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol has a molecular weight of 634.86 g/mol, XLogP of 10.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-difluorophenyl)-3-[2-(3,3-dimethyl-1-propylindol-2-ylidene)ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-propylindol-2-ol is sourced from PubChem (CID 123723803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).