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

C86H50F4N4 — CID 154026396

IUPAC2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine
SMILESFC1(F)c2cc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C86H50F4N4/c87-85(88)75-25-13-12-24-69(75)70-38-35-59(47-77(70)85)64-41-43-74(68-23-11-9-21-66(64)68)84-92-79(49-80(93-84)61-32-28-51-14-4-6-18-56(51)44-61)54-30-26-53(27-31-54)58-34-37-71-72-39-36-60(48-78(72)86(89,90)76(71)46-58)63-40-42-73(67-22-10-8-20-65(63)67)82-50-81(91-83(94-82)55-16-2-1-3-17-55)62-33-29-52-15-5-7-19-57(52)45-62/h1-50H
InChIKeyMCKJFRQNNGSJMQ-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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine

2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine (PubChem CID 154026396) 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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine
PubChem CID154026396
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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine
SMILESFC1(F)c2cc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C86H50F4N4/c87-85(88)75-25-13-12-24-69(75)70-38-35-59(47-77(70)85)64-41-43-74(68-23-11-9-21-66(64)68)84-92-79(49-80(93-84)61-32-28-51-14-4-6-18-56(51)44-61)54-30-26-53(27-31-54)58-34-37-71-72-39-36-60(48-78(72)86(89,90)76(71)46-58)63-40-42-73(67-22-10-8-20-65(63)67)82-50-81(91-83(94-82)55-16-2-1-3-17-55)62-33-29-52-15-5-7-19-57(52)45-62/h1-50H
InChIKeyMCKJFRQNNGSJMQ-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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine with MolForge

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Related Compounds

4-(2-Amino-6-naphthalen-2-yl-pyrimidin-4-yl)-6-naphthalen-2-yl-pyrimidin-2-amine
CID 340797
2-[3-(2,6-Dimethyl-pyridin-4-yl)-phenyl]-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine
CID 57468863
7,18-Bis[2-(trifluoromethyl)phenyl]-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 51032140
7,18-Bis(2,3,4,5,6-pentafluorophenyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 51032293
7,18-Bis(2,6-difluorophenyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 51032294
7,18-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 101567077
7,18-Bis[2-(trifluoromethyl)phenyl]-6,8,17,19-tetrazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1,3(12),4,6,8,10,13(23),14,16,18,20(24),21,25-tridecaene
CID 139091739
4-[(Z)-1,2-bis(4-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]ethenyl]-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 168328925
4-[(Z)-1,2-bis(4-fluorophenyl)-2-[2-[4-(trifluoromethyl)phenyl]quinazolin-4-yl]ethenyl]-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 168328927
4-(Naphthalen-2-yl)-2,6-diphenylpyrimidine
CID 71273254
4,4'-[9,10-Anthracenediylbis(4-phenyl-6,2-quinazolinediyl)]dianiline
CID 3106717
4-(1,2-Dihydroacenaphthylen-5-yl)-6-(2-fluoropropan-2-yl)pyrimidin-2-amine
CID 21846287

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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine (CID 154026396) is 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine is FC1(F)c2cc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)nc(-c5ccc(-c6ccc7c(c6)C(F)(F)c6ccccc6-7)c6ccccc56)n4)cc3)ccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6ccccc6c5)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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine?
The InChIKey is MCKJFRQNNGSJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50F4N4/c87-85(88)75-25-13-12-24-69(75)70-38-35-59(47-77(70)85)64-41-43-74(68-23-11-9-21-66(64)68)84-92-79(49-80(93-84)61-32-28-51-14-4-6-18-56(51)44-61)54-30-26-53(27-31-54)58-34-37-71-72-39-36-60(48-78(72)86(89,90)76(71)46-58)63-40-42-73(67-22-10-8-20-65(63)67)82-50-81(91-83(94-82)55-16-2-1-3-17-55)62-33-29-52-15-5-7-19-57(52)45-62/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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine?
2-[4-(9,9-difluorofluoren-2-yl)naphthalen-1-yl]-4-[4-[9,9-difluoro-7-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-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-2-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]fluoren-2-yl]phenyl]-6-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 154026396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).