2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene

C43H25F10O2+ — CID 15959908

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene
SMILESFc1c(F)c(F)c(C2=CC(c3ccccc3)=C3CCCC(/C=C4\CCCc5c(-c6ccccc6)cc(-c6c(F)c(F)c(F)c(F)c6F)[o+]c54)=C3O2)c(F)c1F
InChIInChI=1S/C43H25F10O2/c44-32-30(33(45)37(49)40(52)36(32)48)28-18-26(20-9-3-1-4-10-20)24-15-7-13-22(42(24)54-28)17-23-14-8-16-25-27(21-11-5-2-6-12-21)19-29(55-43(23)25)31-34(46)38(50)41(53)39(51)35(31)47/h1-6,9-12,17-19H,7-8,13-16H2/q+1
InChIKeyXNMFSHNHPJDZAH-UHFFFAOYSA-N
MW763.65 g/mol
LogP12.97
Rot. Bonds5

About 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene

2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene (PubChem CID 15959908) has the molecular formula C43H25F10O2+ and a molecular weight of 763.65 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene
PubChem CID15959908
Molecular FormulaC43H25F10O2+
Molecular Weight763.65 g/mol
Exact Mass763.17
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene
SMILESFc1c(F)c(F)c(C2=CC(c3ccccc3)=C3CCCC(/C=C4\CCCc5c(-c6ccccc6)cc(-c6c(F)c(F)c(F)c(F)c6F)[o+]c54)=C3O2)c(F)c1F
InChIInChI=1S/C43H25F10O2/c44-32-30(33(45)37(49)40(52)36(32)48)28-18-26(20-9-3-1-4-10-20)24-15-7-13-22(42(24)54-28)17-23-14-8-16-25-27(21-11-5-2-6-12-21)19-29(55-43(23)25)31-34(46)38(50)41(53)39(51)35(31)47/h1-6,9-12,17-19H,7-8,13-16H2/q+1
InChIKeyXNMFSHNHPJDZAH-UHFFFAOYSA-N
XLogP12.97
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.65
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene (CID 15959908) is 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene is Fc1c(F)c(F)c(C2=CC(c3ccccc3)=C3CCCC(/C=C4\CCCc5c(-c6ccccc6)cc(-c6c(F)c(F)c(F)c(F)c6F)[o+]c54)=C3O2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene?
The InChIKey is XNMFSHNHPJDZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25F10O2/c44-32-30(33(45)37(49)40(52)36(32)48)28-18-26(20-9-3-1-4-10-20)24-15-7-13-22(42(24)54-28)17-23-14-8-16-25-27(21-11-5-2-6-12-21)19-29(55-43(23)25)31-34(46)38(50)41(53)39(51)35(31)47/h1-6,9-12,17-19H,7-8,13-16H2/q+1.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene?
2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene has a molecular weight of 763.65 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene is sourced from PubChem (CID 15959908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).