13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene

C46H24F4 — CID 59805293

IUPAC13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
SMILESFc1c(F)c(F)c2c3cc(-c4cccc5ccccc45)c4ccccc4c3c3c4ccccc4c(-c4cccc5ccccc45)cc3c2c1F
InChIInChI=1S/C46H24F4/c47-43-41-37-23-35(29-21-9-13-25-11-1-3-15-27(25)29)31-17-5-7-19-33(31)39(37)40-34-20-8-6-18-32(34)36(24-38(40)42(41)44(48)46(50)45(43)49)30-22-10-14-26-12-2-4-16-28(26)30/h1-24H
InChIKeyTTYPIXJBSPLQMX-UHFFFAOYSA-N
MW652.69 g/mol
LogP13.65
Rot. Bonds2

About 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene

13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene (PubChem CID 59805293) has the molecular formula C46H24F4 and a molecular weight of 652.69 g/mol. Its IUPAC name is 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene.

Molecular Properties

Compound Name13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
PubChem CID59805293
Molecular FormulaC46H24F4
Molecular Weight652.69 g/mol
Exact Mass652.18
IUPAC Name13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
SMILESFc1c(F)c(F)c2c3cc(-c4cccc5ccccc45)c4ccccc4c3c3c4ccccc4c(-c4cccc5ccccc45)cc3c2c1F
InChIInChI=1S/C46H24F4/c47-43-41-37-23-35(29-21-9-13-25-11-1-3-15-27(25)29)31-17-5-7-19-33(31)39(37)40-34-20-8-6-18-32(34)36(24-38(40)42(41)44(48)46(50)45(43)49)30-22-10-14-26-12-2-4-16-28(26)30/h1-24H
InChIKeyTTYPIXJBSPLQMX-UHFFFAOYSA-N
XLogP13.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.69
LogP ≤ 513.65
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_3', 'substructure': 'N/A'}

Analyze 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene with MolForge

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Related Compounds

13,14,15,16-tetrafluoro-9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 59805338
9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene;9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 160967595
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
13,14,15,16-tetrafluorohexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene
CID 11304127
9,14,19,23-tetranaphthalen-1-ylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosa-1(20),2(24),3,5(23),6,8,10,12,14,16,18,21-dodecaene
CID 59642732
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
9-naphthalen-1-ylphenanthrene
CID 20606742
1,2,3,4,5,6,7,8-octafluoronaphthalene;perylene
CID 175456398

Frequently Asked Questions

What is the IUPAC name of 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The IUPAC name of 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene (CID 59805293) is 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene.
What is the SMILES notation for 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The canonical SMILES for 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene is Fc1c(F)c(F)c2c3cc(-c4cccc5ccccc45)c4ccccc4c3c3c4ccccc4c(-c4cccc5ccccc45)cc3c2c1F.
What is the InChIKey of 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
The InChIKey is TTYPIXJBSPLQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H24F4/c47-43-41-37-23-35(29-21-9-13-25-11-1-3-15-27(25)29)31-17-5-7-19-33(31)39(37)40-34-20-8-6-18-32(34)36(24-38(40)42(41)44(48)46(50)45(43)49)30-22-10-14-26-12-2-4-16-28(26)30/h1-24H.
What are the key properties of 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene?
13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene has a molecular weight of 652.69 g/mol, XLogP of 13.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14,15,16-tetrafluoro-9,20-dinaphthalen-1-ylhexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12(17),13,15,19,21,23,25-tridecaene is sourced from PubChem (CID 59805293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).