2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine

C59H42F2N2 — CID 135247145

About 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine

2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine (PubChem CID 135247145) has the molecular formula C59H42F2N2 and a molecular weight of 817.00 g/mol. Its IUPAC name is 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine.

Molecular Properties

• Compound Name: 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine
• PubChem CID: 135247145
• Molecular Formula: C59H42F2N2
• Molecular Weight: 817.00 g/mol
• Exact Mass: 816.33
• IUPAC Name: 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine
• SMILES: C/C=C(\C=C/Cc1ccc2c(c1)-c1cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)ccc1C2(F)F)c1cc(-c2ccccc2)cc(-c2ccccc2)n1
• InChI: InChI=1S/C59H42F2N2/c1-2-41(55-36-49(42-17-7-3-8-18-42)37-56(62-55)45-19-9-4-10-20-45)25-15-16-40-26-32-53-51(34-40)52-35-48(31-33-54(52)59(53,60)61)43-27-29-44(30-28-43)50-38-57(46-21-11-5-12-22-46)63-58(39-50)47-23-13-6-14-24-47/h2-15,17-39H,16H2,1H3/b25-15-,41-2+
• InChIKey: OYDGKUQQKRWIBO-YQMSFGHOSA-N
• XLogP: 15.80
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.00
LogP ≤ 5	15.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine?

The IUPAC name of 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine (CID 135247145) is 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine.

What is the SMILES notation for 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine?

The canonical SMILES for 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine is C/C=C(\C=C/Cc1ccc2c(c1)-c1cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)cc3)ccc1C2(F)F)c1cc(-c2ccccc2)cc(-c2ccccc2)n1.

What is the InChIKey of 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine?

The InChIKey is OYDGKUQQKRWIBO-YQMSFGHOSA-N. The full InChI is InChI=1S/C59H42F2N2/c1-2-41(55-36-49(42-17-7-3-8-18-42)37-56(62-55)45-19-9-4-10-20-45)25-15-16-40-26-32-53-51(34-40)52-35-48(31-33-54(52)59(53,60)61)43-27-29-44(30-28-43)50-38-57(46-21-11-5-12-22-46)63-58(39-50)47-23-13-6-14-24-47/h2-15,17-39H,16H2,1H3/b25-15-,41-2+.

What are the key properties of 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine?

2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine has a molecular weight of 817.00 g/mol, XLogP of 15.80, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E,4Z)-6-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-difluorofluoren-3-yl]hexa-2,4-dien-3-yl]-4,6-diphenylpyridine is sourced from PubChem (CID 135247145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).