9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene

C36H12F12 — CID 118672915

IUPAC9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
SMILESFc1c(F)c(F)c(-c2ccc(-c3c4ccccc4c(-c4c(F)c(F)c(F)c5c(F)c(F)c(F)c(F)c45)c4ccccc34)cc2)c(F)c1F
InChIInChI=1S/C36H12F12/c37-25-20(26(38)33(45)36(48)32(25)44)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)21(18-8-4-2-6-16(18)19)22-23-24(29(41)31(43)27(22)39)30(42)35(47)34(46)28(23)40/h1-12H
InChIKeyLKRTUTSJDNJCBW-UHFFFAOYSA-N
MW672.47 g/mol
LogP11.82
Rot. Bonds3

About 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene

9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene (PubChem CID 118672915) has the molecular formula C36H12F12 and a molecular weight of 672.47 g/mol. Its IUPAC name is 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
PubChem CID118672915
Molecular FormulaC36H12F12
Molecular Weight672.47 g/mol
Exact Mass672.07
IUPAC Name9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene
SMILESFc1c(F)c(F)c(-c2ccc(-c3c4ccccc4c(-c4c(F)c(F)c(F)c5c(F)c(F)c(F)c(F)c45)c4ccccc34)cc2)c(F)c1F
InChIInChI=1S/C36H12F12/c37-25-20(26(38)33(45)36(48)32(25)44)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)21(18-8-4-2-6-16(18)19)22-23-24(29(41)31(43)27(22)39)30(42)35(47)34(46)28(23)40/h1-12H
InChIKeyLKRTUTSJDNJCBW-UHFFFAOYSA-N
XLogP11.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.47
LogP ≤ 511.82
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'}

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Related Compounds

1,2,3,4,5,6,7,8,9,10,11,13,14-tridecafluoro-12-phenylpentaphene
CID 121333824
4-(2,3,4,5,6-pentafluorophenyl)-N,N-diphenylaniline
CID 102107695
1,2,3,4,5-pentafluoro-6-[4-(4-phenylphenyl)phenyl]benzene
CID 102031632
1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene
CID 24827241
4-(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)benzenethiol
CID 177164193
9-(2,3,4,5,6-pentamethylphenyl)-10-[4-[10-(2,3,4,5,6-pentamethylphenyl)anthracen-9-yl]phenyl]anthracene
CID 21043379
N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline
CID 148708974
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
1,4-difluoro-9,10-bis(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87428689
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
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
CID 87429066

Frequently Asked Questions

What is the IUPAC name of 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene?
The IUPAC name of 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene (CID 118672915) is 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene.
What is the SMILES notation for 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene?
The canonical SMILES for 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene is Fc1c(F)c(F)c(-c2ccc(-c3c4ccccc4c(-c4c(F)c(F)c(F)c5c(F)c(F)c(F)c(F)c45)c4ccccc34)cc2)c(F)c1F.
What is the InChIKey of 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene?
The InChIKey is LKRTUTSJDNJCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H12F12/c37-25-20(26(38)33(45)36(48)32(25)44)14-11-9-13(10-12-14)19-15-5-1-3-7-17(15)21(18-8-4-2-6-16(18)19)22-23-24(29(41)31(43)27(22)39)30(42)35(47)34(46)28(23)40/h1-12H.
What are the key properties of 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene?
9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene has a molecular weight of 672.47 g/mol, XLogP of 11.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-10-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]anthracene is sourced from PubChem (CID 118672915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).