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

C47H29F10O2+ — CID 45148659

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

2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene (PubChem CID 45148659) has the molecular formula C47H29F10O2+ and a molecular weight of 815.73 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene.

Molecular Properties

• Compound Name: 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene
• PubChem CID: 45148659
• Molecular Formula: C47H29F10O2+
• Molecular Weight: 815.73 g/mol
• Exact Mass: 815.20
• IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene
• SMILES: Fc1c(F)c(F)c(C2=CC(c3ccccc3)=C3CCCC(/C=C\C=C\C=C4\CCCc5c(-c6ccccc6)cc(-c6c(F)c(F)c(F)c(F)c6F)[o+]c54)=C3O2)c(F)c1F
• InChI: InChI=1S/C47H29F10O2/c48-36-34(37(49)41(53)44(56)40(36)52)32-22-30(24-12-4-1-5-13-24)28-20-10-18-26(46(28)58-32)16-8-3-9-17-27-19-11-21-29-31(25-14-6-2-7-15-25)23-33(59-47(27)29)35-38(50)42(54)45(57)43(55)39(35)51/h1-9,12-17,22-23H,10-11,18-21H2/q+1
• InChIKey: WMJSUPLOPLPARE-UHFFFAOYSA-N
• XLogP: 14.08
• TPSA: 20.53 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.73
LogP ≤ 5	14.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene?

The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene (CID 45148659) is 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene.

What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene?

The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene is Fc1c(F)c(F)c(C2=CC(c3ccccc3)=C3CCCC(/C=C\C=C\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-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene?

The InChIKey is WMJSUPLOPLPARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29F10O2/c48-36-34(37(49)41(53)44(56)40(36)52)32-22-30(24-12-4-1-5-13-24)28-20-10-18-26(46(28)58-32)16-8-3-9-17-27-19-11-21-29-31(25-14-6-2-7-15-25)23-33(59-47(27)29)35-38(50)42(54)45(57)43(55)39(35)51/h1-9,12-17,22-23H,10-11,18-21H2/q+1.

What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene?

2-(2,3,4,5,6-pentafluorophenyl)-8-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene has a molecular weight of 815.73 g/mol, XLogP of 14.08, 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-[(1Z,3E,5Z)-5-[2-(2,3,4,5,6-pentafluorophenyl)-4-phenyl-6,7-dihydro-5H-chromen-1-ium-8-ylidene]penta-1,3-dienyl]-4-phenyl-6,7-dihydro-5H-chromene is sourced from PubChem (CID 45148659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).