9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene

C39H20F10 — CID 143619815

IUPAC9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
SMILESC=C/C(=C\C=C(/C)c1c(F)c(F)c(F)c(F)c1F)c1c2ccccc2c(-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)c2ccccc12
InChIInChI=1S/C39H20F10/c1-3-19(13-12-18(2)26-30(40)34(44)38(48)35(45)31(26)41)27-22-8-4-6-10-24(22)28(25-11-7-5-9-23(25)27)20-14-16-21(17-15-20)29-32(42)36(46)39(49)37(47)33(29)43/h3-17H,1H2,2H3/b18-12+,19-13+
InChIKeyDHLDYUQQXZLNOR-KLCVKJMQSA-N
MW678.57 g/mol
LogP12.39
Rot. Bonds6

About 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene

9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene (PubChem CID 143619815) has the molecular formula C39H20F10 and a molecular weight of 678.57 g/mol. Its IUPAC name is 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
PubChem CID143619815
Molecular FormulaC39H20F10
Molecular Weight678.57 g/mol
Exact Mass678.14
IUPAC Name9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
SMILESC=C/C(=C\C=C(/C)c1c(F)c(F)c(F)c(F)c1F)c1c2ccccc2c(-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)c2ccccc12
InChIInChI=1S/C39H20F10/c1-3-19(13-12-18(2)26-30(40)34(44)38(48)35(45)31(26)41)27-22-8-4-6-10-24(22)28(25-11-7-5-9-23(25)27)20-14-16-21(17-15-20)29-32(42)36(46)39(49)37(47)33(29)43/h3-17H,1H2,2H3/b18-12+,19-13+
InChIKeyDHLDYUQQXZLNOR-KLCVKJMQSA-N
XLogP12.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.57
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-10-[(3E,5E)-6-phenylhepta-1,3,5-trien-3-yl]-9-(4-phenylphenyl)anthracene;ethane
CID 143575842
2-[6-(10-naphthalen-2-ylanthracen-9-yl)hepta-1,3,5-trien-3-yl]-1-phenylbenzimidazole
CID 123428890
9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
CID 118672915
5,12-bis[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6,11-diphenyltetracene
CID 144761623
ethane;9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-10-[(3E,5Z)-hepta-1,3,5-trien-3-yl]anthracene
CID 143808734
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
CID 102031632
9-[(3E)-penta-1,3-dien-3-yl]-10-[4-(2-phenylphenyl)-3-(3-phenylphenyl)phenyl]anthracene
CID 143109625
1-(4-ethenylphenyl)-2,3,4,5,6-pentafluorobenzene
CID 102498267
6-(9,9-dimethylfluoren-2-yl)-N,9-diphenyl-N-[(3E,5E)-6-(10-phenylanthracen-9-yl)hepta-1,3,5-trien-3-yl]carbazol-3-amine
CID 89374077
N-[4-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 143743724
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorophenyl]phenyl]carbazole
CID 102109316

Frequently Asked Questions

What is the IUPAC name of 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene?
The IUPAC name of 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene (CID 143619815) is 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene.
What is the SMILES notation for 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene?
The canonical SMILES for 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene is C=C/C(=C\C=C(/C)c1c(F)c(F)c(F)c(F)c1F)c1c2ccccc2c(-c2ccc(-c3c(F)c(F)c(F)c(F)c3F)cc2)c2ccccc12.
What is the InChIKey of 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene?
The InChIKey is DHLDYUQQXZLNOR-KLCVKJMQSA-N. The full InChI is InChI=1S/C39H20F10/c1-3-19(13-12-18(2)26-30(40)34(44)38(48)35(45)31(26)41)27-22-8-4-6-10-24(22)28(25-11-7-5-9-23(25)27)20-14-16-21(17-15-20)29-32(42)36(46)39(49)37(47)33(29)43/h3-17H,1H2,2H3/b18-12+,19-13+.
What are the key properties of 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene?
9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene has a molecular weight of 678.57 g/mol, XLogP of 12.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3E,5E)-6-(2,3,4,5,6-pentafluorophenyl)hepta-1,3,5-trien-3-yl]-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene is sourced from PubChem (CID 143619815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).