2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine

C78H46F4N4 — CID 135247158

IUPAC2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine
SMILESFC1(F)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C78H46F4N4/c79-77(80)67-27-15-14-26-61(67)62-36-33-53(43-69(62)77)56-39-41-66(60-25-13-11-23-58(56)60)76-84-71(48-16-4-1-5-17-48)45-72(85-76)50-30-28-47(29-31-50)52-32-35-63-64-37-34-54(44-70(64)78(81,82)68(63)42-52)55-38-40-65(59-24-12-10-22-57(55)59)74-46-73(49-18-6-2-7-19-49)83-75(86-74)51-20-8-3-9-21-51/h1-46H
InChIKeyYQVGTESPFGLJLQ-UHFFFAOYSA-N
MW1115.25 g/mol
LogP20.82
Rot. Bonds9

About 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine

2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine (PubChem CID 135247158) has the molecular formula C78H46F4N4 and a molecular weight of 1115.25 g/mol. Its IUPAC name is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine
PubChem CID135247158
Molecular FormulaC78H46F4N4
Molecular Weight1115.25 g/mol
Exact Mass1114.37
IUPAC Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine
SMILESFC1(F)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C78H46F4N4/c79-77(80)67-27-15-14-26-61(67)62-36-33-53(43-69(62)77)56-39-41-66(60-25-13-11-23-58(56)60)76-84-71(48-16-4-1-5-17-48)45-72(85-76)50-30-28-47(29-31-50)52-32-35-63-64-37-34-54(44-70(64)78(81,82)68(63)42-52)55-38-40-65(59-24-12-10-22-57(55)59)74-46-73(49-18-6-2-7-19-49)83-75(86-74)51-20-8-3-9-21-51/h1-46H
InChIKeyYQVGTESPFGLJLQ-UHFFFAOYSA-N
XLogP20.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.25
LogP ≤ 520.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine 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-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine?
The IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine (CID 135247158) is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine.
What is the SMILES notation for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine?
The canonical SMILES for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine is FC1(F)c2cc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21.
What is the InChIKey of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine?
The InChIKey is YQVGTESPFGLJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46F4N4/c79-77(80)67-27-15-14-26-61(67)62-36-33-53(43-69(62)77)56-39-41-66(60-25-13-11-23-58(56)60)76-84-71(48-16-4-1-5-17-48)45-72(85-76)50-30-28-47(29-31-50)52-32-35-63-64-37-34-54(44-70(64)78(81,82)68(63)42-52)55-38-40-65(59-24-12-10-22-57(55)59)74-46-73(49-18-6-2-7-19-49)83-75(86-74)51-20-8-3-9-21-51/h1-46H.
What are the key properties of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine?
2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine has a molecular weight of 1115.25 g/mol, XLogP of 20.82, 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-[7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]-9,9-difluorofluoren-2-yl]phenyl]-6-phenylpyrimidine is sourced from PubChem (CID 135247158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).