9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene

C34H21F13 — CID 162171237

IUPAC9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc2c1C(C1c3ccccc3Cc3ccccc31)c1ccccc1C2
InChIInChI=1S/C34H21F13/c35-29(36,30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47)25-15-7-11-21-17-20-10-3-6-14-24(20)28(26(21)25)27-22-12-4-1-8-18(22)16-19-9-2-5-13-23(19)27/h1-15,27-28H,16-17H2
InChIKeyZNUXERGDDHTXFX-UHFFFAOYSA-N
MW676.52 g/mol
LogP10.65
Rot. Bonds6

About 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene

9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene (PubChem CID 162171237) has the molecular formula C34H21F13 and a molecular weight of 676.52 g/mol. Its IUPAC name is 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene.

Molecular Properties

Compound Name9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene
PubChem CID162171237
Molecular FormulaC34H21F13
Molecular Weight676.52 g/mol
Exact Mass676.14
IUPAC Name9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc2c1C(C1c3ccccc3Cc3ccccc31)c1ccccc1C2
InChIInChI=1S/C34H21F13/c35-29(36,30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47)25-15-7-11-21-17-20-10-3-6-14-24(20)28(26(21)25)27-22-12-4-1-8-18(22)16-19-9-2-5-13-23(19)27/h1-15,27-28H,16-17H2
InChIKeyZNUXERGDDHTXFX-UHFFFAOYSA-N
XLogP10.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.52
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)naphthalene
CID 12871981
tris[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane
CID 102270271
ethane;bis(pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene)
CID 167587825
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzoic acid
CID 22465882
decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475
1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol
CID 151562848
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)thiophene
CID 14400022
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
9-iodo-9,10-dihydroanthracene
CID 70258846
(2S,4R)-3,3-difluorotetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 59040472
N-(2-methylbut-3-yn-2-yl)-9,10-dihydroanthracen-9-amine
CID 63997676

Frequently Asked Questions

What is the IUPAC name of 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene?
The IUPAC name of 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene (CID 162171237) is 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene.
What is the SMILES notation for 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene?
The canonical SMILES for 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cccc2c1C(C1c3ccccc3Cc3ccccc31)c1ccccc1C2.
What is the InChIKey of 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene?
The InChIKey is ZNUXERGDDHTXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21F13/c35-29(36,30(37,38)31(39,40)32(41,42)33(43,44)34(45,46)47)25-15-7-11-21-17-20-10-3-6-14-24(20)28(26(21)25)27-22-12-4-1-8-18(22)16-19-9-2-5-13-23(19)27/h1-15,27-28H,16-17H2.
What are the key properties of 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene?
9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene has a molecular weight of 676.52 g/mol, XLogP of 10.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,10-dihydroanthracen-9-yl)-1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-9,10-dihydroanthracene is sourced from PubChem (CID 162171237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).