2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene

C38H24F4 — CID 102277148

IUPAC2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene
SMILESFc1ccc(C2(c3ccc(F)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(F)cc2)c2ccc(F)cc2)CC4)cc1
InChIInChI=1S/C38H24F4/c39-29-13-5-25(6-14-29)37(26-7-15-30(40)16-8-26)33-21-3-23-1-2-24-4-22-34(36(33)35(23)24)38(37,27-9-17-31(41)18-10-27)28-11-19-32(42)20-12-28/h3-22H,1-2H2
InChIKeyHBEHWJAJMAVLMF-UHFFFAOYSA-N
MW556.60 g/mol
LogP9.18
Rot. Bonds4

About 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene

2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene (PubChem CID 102277148) has the molecular formula C38H24F4 and a molecular weight of 556.60 g/mol. Its IUPAC name is 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene.

Molecular Properties

Compound Name2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene
PubChem CID102277148
Molecular FormulaC38H24F4
Molecular Weight556.60 g/mol
Exact Mass556.18
IUPAC Name2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene
SMILESFc1ccc(C2(c3ccc(F)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(F)cc2)c2ccc(F)cc2)CC4)cc1
InChIInChI=1S/C38H24F4/c39-29-13-5-25(6-14-29)37(26-7-15-30(40)16-8-26)33-21-3-23-1-2-24-4-22-34(36(33)35(23)24)38(37,27-9-17-31(41)18-10-27)28-11-19-32(42)20-12-28/h3-22H,1-2H2
InChIKeyHBEHWJAJMAVLMF-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.60
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene?
The IUPAC name of 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene (CID 102277148) is 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene.
What is the SMILES notation for 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene?
The canonical SMILES for 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene is Fc1ccc(C2(c3ccc(F)cc3)c3ccc4c5c(ccc(c35)C2(c2ccc(F)cc2)c2ccc(F)cc2)CC4)cc1.
What is the InChIKey of 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene?
The InChIKey is HBEHWJAJMAVLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F4/c39-29-13-5-25(6-14-29)37(26-7-15-30(40)16-8-26)33-21-3-23-1-2-24-4-22-34(36(33)35(23)24)38(37,27-9-17-31(41)18-10-27)28-11-19-32(42)20-12-28/h3-22H,1-2H2.
What are the key properties of 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene?
2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene has a molecular weight of 556.60 g/mol, XLogP of 9.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrakis(4-fluorophenyl)tetracyclo[5.5.2.04,13.010,14]tetradeca-1(13),4,6,10(14),11-pentaene is sourced from PubChem (CID 102277148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).