2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine

C86H50F4N4 — CID 135247174

IUPAC2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine
SMILESFC1(F)c2cc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C86H50F4N4/c87-85(88)75-31-13-12-28-67(75)68-40-37-57(47-77(68)85)62-43-45-74(66-27-11-9-25-64(62)66)84-91-79(49-80(94-84)71-29-14-20-52-16-4-6-22-59(52)71)54-34-32-51(33-35-54)56-36-39-69-70-41-38-58(48-78(70)86(89,90)76(69)46-56)61-42-44-73(65-26-10-8-24-63(61)65)82-50-81(92-83(93-82)55-18-2-1-3-19-55)72-30-15-21-53-17-5-7-23-60(53)72/h1-50H
InChIKeyVWQXLUSBVSXFOC-UHFFFAOYSA-N
MW1215.37 g/mol
LogP23.12
Rot. Bonds9

About 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine

2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine (PubChem CID 135247174) has the molecular formula C86H50F4N4 and a molecular weight of 1215.37 g/mol. Its IUPAC name is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine
PubChem CID135247174
Molecular FormulaC86H50F4N4
Molecular Weight1215.37 g/mol
Exact Mass1214.40
IUPAC Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine
SMILESFC1(F)c2cc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C86H50F4N4/c87-85(88)75-31-13-12-28-67(75)68-40-37-57(47-77(68)85)62-43-45-74(66-27-11-9-25-64(62)66)84-91-79(49-80(94-84)71-29-14-20-52-16-4-6-22-59(52)71)54-34-32-51(33-35-54)56-36-39-69-70-41-38-58(48-78(70)86(89,90)76(69)46-56)61-42-44-73(65-26-10-8-24-63(61)65)82-50-81(92-83(93-82)55-18-2-1-3-19-55)72-30-15-21-53-17-5-7-23-60(53)72/h1-50H
InChIKeyVWQXLUSBVSXFOC-UHFFFAOYSA-N
XLogP23.12
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001215.37
LogP ≤ 523.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine?
The IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine (CID 135247174) is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine?
The canonical SMILES for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine is FC1(F)c2cc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5cccc6ccccc56)nc(-c5ccccc5)n4)c4ccccc34)cc21.
What is the InChIKey of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine?
The InChIKey is VWQXLUSBVSXFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50F4N4/c87-85(88)75-31-13-12-28-67(75)68-40-37-57(47-77(68)85)62-43-45-74(66-27-11-9-25-64(62)66)84-91-79(49-80(94-84)71-29-14-20-52-16-4-6-22-59(52)71)54-34-32-51(33-35-54)56-36-39-69-70-41-38-58(48-78(70)86(89,90)76(69)46-56)61-42-44-73(65-26-10-8-24-63(61)65)82-50-81(92-83(93-82)55-18-2-1-3-19-55)72-30-15-21-53-17-5-7-23-60(53)72/h1-50H.
What are the key properties of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine?
2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine has a molecular weight of 1215.37 g/mol, XLogP of 23.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 135247174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).