2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine

C73H48FN3 — CID 58106878

IUPAC2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine
SMILESFC(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1)(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C73H48FN3/c74-73(67-46-22-43-64(75-67)70(49-25-4-1-5-26-49)58-37-16-10-31-52(58)53-32-11-17-38-59(53)70,68-47-23-44-65(76-68)71(50-27-6-2-7-28-50)60-39-18-12-33-54(60)55-34-13-19-40-61(55)71)69-48-24-45-66(77-69)72(51-29-8-3-9-30-51)62-41-20-14-35-56(62)57-36-15-21-42-63(57)72/h1-48H
InChIKeyQYTIYCJOAFFYIH-UHFFFAOYSA-N
MW986.21 g/mol
LogP16.22
Rot. Bonds9

About 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine

2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine (PubChem CID 58106878) has the molecular formula C73H48FN3 and a molecular weight of 986.21 g/mol. Its IUPAC name is 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine.

Molecular Properties

Compound Name2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine
PubChem CID58106878
Molecular FormulaC73H48FN3
Molecular Weight986.21 g/mol
Exact Mass985.38
IUPAC Name2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine
SMILESFC(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1)(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C73H48FN3/c74-73(67-46-22-43-64(75-67)70(49-25-4-1-5-26-49)58-37-16-10-31-52(58)53-32-11-17-38-59(53)70,68-47-23-44-65(76-68)71(50-27-6-2-7-28-50)60-39-18-12-33-54(60)55-34-13-19-40-61(55)71)69-48-24-45-66(77-69)72(51-29-8-3-9-30-51)62-41-20-14-35-56(62)57-36-15-21-42-63(57)72/h1-48H
InChIKeyQYTIYCJOAFFYIH-UHFFFAOYSA-N
XLogP16.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.21
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine?
The IUPAC name of 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine (CID 58106878) is 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine.
What is the SMILES notation for 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine?
The canonical SMILES for 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine is FC(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1)(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1)c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine?
The InChIKey is QYTIYCJOAFFYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48FN3/c74-73(67-46-22-43-64(75-67)70(49-25-4-1-5-26-49)58-37-16-10-31-52(58)53-32-11-17-38-59(53)70,68-47-23-44-65(76-68)71(50-27-6-2-7-28-50)60-39-18-12-33-54(60)55-34-13-19-40-61(55)71)69-48-24-45-66(77-69)72(51-29-8-3-9-30-51)62-41-20-14-35-56(62)57-36-15-21-42-63(57)72/h1-48H.
What are the key properties of 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine?
2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine has a molecular weight of 986.21 g/mol, XLogP of 16.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-bis[6-(9-phenylfluoren-9-yl)-2-pyridinyl]methyl]-6-(9-phenylfluoren-9-yl)pyridine is sourced from PubChem (CID 58106878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).