(6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene

C47H66F2O — CID 58434992

IUPAC(6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene
SMILESCCCCCCCCCCCC/C=c1/cc2c(cc1C)=C(c1c(F)cccc1F)c1cc(C)c(CCCCCCCCCCCCC)cc1O2
InChIInChI=1S/C47H66F2O/c1-5-7-9-11-13-15-17-19-21-23-25-28-38-34-44-40(32-36(38)3)46(47-42(48)30-27-31-43(47)49)41-33-37(4)39(35-45(41)50-44)29-26-24-22-20-18-16-14-12-10-8-6-2/h27-28,30-35H,5-26,29H2,1-4H3/b38-28-
InChIKeySNGJVLGSCFSFEL-AWYAZMPSSA-N
MW685.04 g/mol
LogP13.88
Rot. Bonds24

About (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene

(6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene (PubChem CID 58434992) has the molecular formula C47H66F2O and a molecular weight of 685.04 g/mol. Its IUPAC name is (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene.

Molecular Properties

Compound Name(6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene
PubChem CID58434992
Molecular FormulaC47H66F2O
Molecular Weight685.04 g/mol
Exact Mass684.51
IUPAC Name(6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene
SMILESCCCCCCCCCCCC/C=c1/cc2c(cc1C)=C(c1c(F)cccc1F)c1cc(C)c(CCCCCCCCCCCCC)cc1O2
InChIInChI=1S/C47H66F2O/c1-5-7-9-11-13-15-17-19-21-23-25-28-38-34-44-40(32-36(38)3)46(47-42(48)30-27-31-43(47)49)41-33-37(4)39(35-45(41)50-44)29-26-24-22-20-18-16-14-12-10-8-6-2/h27-28,30-35H,5-26,29H2,1-4H3/b38-28-
InChIKeySNGJVLGSCFSFEL-AWYAZMPSSA-N
XLogP13.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.04
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[9-(2,6-dichlorophenyl)-6-(didodecylamino)xanthen-3-ylidene]-didodecylazanium;(6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene
CID 123459988
1-fluoro-2,3-dioctylbenzene
CID 67729666
1-fluoro-2-heptylbenzene
CID 20721019
1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
4-fluoro-2-methyl-1-pentylbenzene
CID 57094925
3-hexyl-11-hydroxy-5-methylnaphtho[2,3-h]chromene-2,7,12-trione
CID 122183423
2-fluoro-1-heptyl-4-methylbenzene
CID 58718848
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2,3-tri(icosyl)benzene
CID 90987509
2-butyl-4-(2-fluorophenyl)-1-methylbenzene
CID 146534667
1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane
CID 174924769
1,2-dihexyl-3-methylbenzene
CID 15920121

Frequently Asked Questions

What is the IUPAC name of (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene?
The IUPAC name of (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene (CID 58434992) is (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene.
What is the SMILES notation for (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene?
The canonical SMILES for (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene is CCCCCCCCCCCC/C=c1/cc2c(cc1C)=C(c1c(F)cccc1F)c1cc(C)c(CCCCCCCCCCCCC)cc1O2.
What is the InChIKey of (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene?
The InChIKey is SNGJVLGSCFSFEL-AWYAZMPSSA-N. The full InChI is InChI=1S/C47H66F2O/c1-5-7-9-11-13-15-17-19-21-23-25-28-38-34-44-40(32-36(38)3)46(47-42(48)30-27-31-43(47)49)41-33-37(4)39(35-45(41)50-44)29-26-24-22-20-18-16-14-12-10-8-6-2/h27-28,30-35H,5-26,29H2,1-4H3/b38-28-.
What are the key properties of (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene?
(6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene has a molecular weight of 685.04 g/mol, XLogP of 13.88, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-9-(2,6-difluorophenyl)-2,7-dimethyl-3-tridecyl-6-tridecylidenexanthene is sourced from PubChem (CID 58434992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).