9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene

C26H12F6 — CID 87429066

IUPAC9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(F)c(F)c(F)c(F)c23)c(F)c1
InChIInChI=1S/C26H12F6/c27-14-10-11-17(18(28)12-14)20-16-9-5-4-8-15(16)19(13-6-2-1-3-7-13)21-22(20)24(30)26(32)25(31)23(21)29/h1-12H
InChIKeyQMBJSDMLBABABO-UHFFFAOYSA-N
MW438.37 g/mol
LogP8.16
Rot. Bonds2

About 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene

9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene (PubChem CID 87429066) has the molecular formula C26H12F6 and a molecular weight of 438.37 g/mol. Its IUPAC name is 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene.

Molecular Properties

Compound Name9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
PubChem CID87429066
Molecular FormulaC26H12F6
Molecular Weight438.37 g/mol
Exact Mass438.08
IUPAC Name9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
SMILESFc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(F)c(F)c(F)c(F)c23)c(F)c1
InChIInChI=1S/C26H12F6/c27-14-10-11-17(18(28)12-14)20-16-9-5-4-8-15(16)19(13-6-2-1-3-7-13)21-22(20)24(30)26(32)25(31)23(21)29/h1-12H
InChIKeyQMBJSDMLBABABO-UHFFFAOYSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 58.16
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

9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-(2,3,4,5,6-pentafluorophenyl)anthracene
CID 87457689
10-(2,4-difluorophenyl)-1,4,5-trifluoro-9-phenylanthracene
CID 88877437
9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
CID 87425597
9,10-bis(2,4-difluorophenyl)-2,3-difluoroanthracene
CID 87425893
2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene
CID 143048698
9-(2,4-difluorophenyl)-10-(2,3,5,6-tetrafluorophenyl)anthracene
CID 88877561
9,10-bis(2,4-difluorophenyl)-N,N-diphenylanthracen-2-amine
CID 58927078
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
CID 58846893
1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene
CID 24827241
5-fluoro-13-[4-(4-phenylphenyl)phenyl]pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 58160942
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
9-(2,4-difluorophenyl)-1,2,3,4,5-pentafluoro-10-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anthracene
CID 87428335

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene?
The IUPAC name of 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene (CID 87429066) is 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene.
What is the SMILES notation for 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene?
The canonical SMILES for 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene is Fc1ccc(-c2c3ccccc3c(-c3ccccc3)c3c(F)c(F)c(F)c(F)c23)c(F)c1.
What is the InChIKey of 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene?
The InChIKey is QMBJSDMLBABABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F6/c27-14-10-11-17(18(28)12-14)20-16-9-5-4-8-15(16)19(13-6-2-1-3-7-13)21-22(20)24(30)26(32)25(31)23(21)29/h1-12H.
What are the key properties of 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene?
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene has a molecular weight of 438.37 g/mol, XLogP of 8.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene is sourced from PubChem (CID 87429066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).