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

C55H35F10O2+ — CID 15962296

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene
SMILESFc1c(F)c(F)c(C2=CC(c3ccccc3)=C3CCCC(/C=C4\CCC(/C=C5\CCCc6c(-c7ccccc7)cc(-c7c(F)c(F)c(F)c(F)c7F)[o+]c65)=C4c4ccccc4)=C3O2)c(F)c1F
InChIInChI=1S/C55H35F10O2/c56-44-42(45(57)49(61)52(64)48(44)60)39-26-37(28-12-4-1-5-13-28)35-20-10-18-33(54(35)66-39)24-31-22-23-32(41(31)30-16-8-3-9-17-30)25-34-19-11-21-36-38(29-14-6-2-7-15-29)27-40(67-55(34)36)43-46(58)50(62)53(65)51(63)47(43)59/h1-9,12-17,24-27H,10-11,18-23H2/q+1
InChIKeyQRDYIXZQGRAYTK-UHFFFAOYSA-N
MW917.86 g/mol
LogP16.14
Rot. Bonds7

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

2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene (PubChem CID 15962296) has the molecular formula C55H35F10O2+ and a molecular weight of 917.86 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene
PubChem CID15962296
Molecular FormulaC55H35F10O2+
Molecular Weight917.86 g/mol
Exact Mass917.25
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene
SMILESFc1c(F)c(F)c(C2=CC(c3ccccc3)=C3CCCC(/C=C4\CCC(/C=C5\CCCc6c(-c7ccccc7)cc(-c7c(F)c(F)c(F)c(F)c7F)[o+]c65)=C4c4ccccc4)=C3O2)c(F)c1F
InChIInChI=1S/C55H35F10O2/c56-44-42(45(57)49(61)52(64)48(44)60)39-26-37(28-12-4-1-5-13-28)35-20-10-18-33(54(35)66-39)24-31-22-23-32(41(31)30-16-8-3-9-17-30)25-34-19-11-21-36-38(29-14-6-2-7-15-29)27-40(67-55(34)36)43-46(58)50(62)53(65)51(63)47(43)59/h1-9,12-17,24-27H,10-11,18-23H2/q+1
InChIKeyQRDYIXZQGRAYTK-UHFFFAOYSA-N
XLogP16.14
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.86
LogP ≤ 516.14
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'}

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene (CID 15962296) is 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene is Fc1c(F)c(F)c(C2=CC(c3ccccc3)=C3CCCC(/C=C4\CCC(/C=C5\CCCc6c(-c7ccccc7)cc(-c7c(F)c(F)c(F)c(F)c7F)[o+]c65)=C4c4ccccc4)=C3O2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene?
The InChIKey is QRDYIXZQGRAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35F10O2/c56-44-42(45(57)49(61)52(64)48(44)60)39-26-37(28-12-4-1-5-13-28)35-20-10-18-33(54(35)66-39)24-31-22-23-32(41(31)30-16-8-3-9-17-30)25-34-19-11-21-36-38(29-14-6-2-7-15-29)27-40(67-55(34)36)43-46(58)50(62)53(65)51(63)47(43)59/h1-9,12-17,24-27H,10-11,18-23H2/q+1.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene?
2-(2,3,4,5,6-pentafluorophenyl)-8-[(E)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene has a molecular weight of 917.86 g/mol, XLogP of 16.14, 7 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)-[3-[(E)-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]methyl]-2-phenylcyclopent-2-en-1-ylidene]methyl]-4-phenyl-6,7-dihydro-5H-chromene is sourced from PubChem (CID 15962296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).