8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate

C56H47BF4O2 — CID 74057221

IUPAC8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate
SMILESC(=C1CCCC(C=C2CCCc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C1c1ccccc1)C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1.F[B-](F)(F)F
InChIInChI=1S/C56H47O2.BF4/c1-6-19-39(20-7-1)50-37-52(41-23-10-3-11-24-41)57-55-46(31-17-33-48(50)55)35-44-29-16-30-45(54(44)43-27-14-5-15-28-43)36-47-32-18-34-49-51(40-21-8-2-9-22-40)38-53(58-56(47)49)42-25-12-4-13-26-42;2-1(3,4)5/h1-15,19-28,35-38H,16-18,29-34H2;/q+1;-1
InChIKeyHCPOWBINQLPJHJ-UHFFFAOYSA-N
MW838.79 g/mol
LogP16.44
Rot. Bonds7

About 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate

8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate (PubChem CID 74057221) has the molecular formula C56H47BF4O2 and a molecular weight of 838.79 g/mol. Its IUPAC name is 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate.

Molecular Properties

Compound Name8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate
PubChem CID74057221
Molecular FormulaC56H47BF4O2
Molecular Weight838.79 g/mol
Exact Mass838.36
IUPAC Name8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate
SMILESC(=C1CCCC(C=C2CCCc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C1c1ccccc1)C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1.F[B-](F)(F)F
InChIInChI=1S/C56H47O2.BF4/c1-6-19-39(20-7-1)50-37-52(41-23-10-3-11-24-41)57-55-46(31-17-33-48(50)55)35-44-29-16-30-45(54(44)43-27-14-5-15-28-43)36-47-32-18-34-49-51(40-21-8-2-9-22-40)38-53(58-56(47)49)42-25-12-4-13-26-42;2-1(3,4)5/h1-15,19-28,35-38H,16-18,29-34H2;/q+1;-1
InChIKeyHCPOWBINQLPJHJ-UHFFFAOYSA-N
XLogP16.44
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.79
LogP ≤ 516.44
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': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate?
The IUPAC name of 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate (CID 74057221) is 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate.
What is the SMILES notation for 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate?
The canonical SMILES for 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate is C(=C1CCCC(C=C2CCCc3c(-c4ccccc4)cc(-c4ccccc4)[o+]c32)=C1c1ccccc1)C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1.F[B-](F)(F)F.
What is the InChIKey of 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate?
The InChIKey is HCPOWBINQLPJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47O2.BF4/c1-6-19-39(20-7-1)50-37-52(41-23-10-3-11-24-41)57-55-46(31-17-33-48(50)55)35-44-29-16-30-45(54(44)43-27-14-5-15-28-43)36-47-32-18-34-49-51(40-21-8-2-9-22-40)38-53(58-56(47)49)42-25-12-4-13-26-42;2-1(3,4)5/h1-15,19-28,35-38H,16-18,29-34H2;/q+1;-1.
What are the key properties of 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate?
8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate has a molecular weight of 838.79 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-[(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene)methyl]-2-phenylcyclohex-2-en-1-ylidene]methyl]-2,4-diphenyl-6,7-dihydro-5H-chromene tetrafluoroborate is sourced from PubChem (CID 74057221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).