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

C86H50F4N4 — CID 163577614

IUPAC2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6ccccc6-c6ccc7cc(-c8cc(-c9ccccc9)nc(-c9ccc%10ccc(-c%11ccc%12c(c%11)C(F)(F)c%11ccccc%11-%12)cc%10c9)n8)ccc7c6)n5)cc4c3)cc21
InChIInChI=1S/C86H50F4N4/c87-85(88)75-23-10-8-19-69(75)71-39-37-59(47-77(71)85)57-29-25-51-27-34-63(45-65(51)43-57)81-50-82(73-22-12-16-53-13-4-5-17-67(53)73)94-84(93-81)74-21-7-6-18-68(74)61-33-31-56-42-62(35-32-55(56)41-61)80-49-79(54-14-2-1-3-15-54)91-83(92-80)64-36-28-52-26-30-58(44-66(52)46-64)60-38-40-72-70-20-9-11-24-76(70)86(89,90)78(72)48-60/h1-50H
InChIKeyGEVVNNGCIUARCJ-UHFFFAOYSA-N
MW1215.37 g/mol
LogP23.12
Rot. Bonds9

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

2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine (PubChem CID 163577614) has the molecular formula C86H50F4N4 and a molecular weight of 1215.37 g/mol. Its IUPAC name is 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine.

Molecular Properties

Compound Name2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine
PubChem CID163577614
Molecular FormulaC86H50F4N4
Molecular Weight1215.37 g/mol
Exact Mass1214.40
IUPAC Name2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine
SMILESFC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6ccccc6-c6ccc7cc(-c8cc(-c9ccccc9)nc(-c9ccc%10ccc(-c%11ccc%12c(c%11)C(F)(F)c%11ccccc%11-%12)cc%10c9)n8)ccc7c6)n5)cc4c3)cc21
InChIInChI=1S/C86H50F4N4/c87-85(88)75-23-10-8-19-69(75)71-39-37-59(47-77(71)85)57-29-25-51-27-34-63(45-65(51)43-57)81-50-82(73-22-12-16-53-13-4-5-17-67(53)73)94-84(93-81)74-21-7-6-18-68(74)61-33-31-56-42-62(35-32-55(56)41-61)80-49-79(54-14-2-1-3-15-54)91-83(92-80)64-36-28-52-26-30-58(44-66(52)46-64)60-38-40-72-70-20-9-11-24-76(70)86(89,90)78(72)48-60/h1-50H
InChIKeyGEVVNNGCIUARCJ-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-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine 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-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine?
The IUPAC name of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine (CID 163577614) is 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine.
What is the SMILES notation for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine?
The canonical SMILES for 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine is FC1(F)c2ccccc2-c2ccc(-c3ccc4ccc(-c5cc(-c6cccc7ccccc67)nc(-c6ccccc6-c6ccc7cc(-c8cc(-c9ccccc9)nc(-c9ccc%10ccc(-c%11ccc%12c(c%11)C(F)(F)c%11ccccc%11-%12)cc%10c9)n8)ccc7c6)n5)cc4c3)cc21.
What is the InChIKey of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine?
The InChIKey is GEVVNNGCIUARCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H50F4N4/c87-85(88)75-23-10-8-19-69(75)71-39-37-59(47-77(71)85)57-29-25-51-27-34-63(45-65(51)43-57)81-50-82(73-22-12-16-53-13-4-5-17-67(53)73)94-84(93-81)74-21-7-6-18-68(74)61-33-31-56-42-62(35-32-55(56)41-61)80-49-79(54-14-2-1-3-15-54)91-83(92-80)64-36-28-52-26-30-58(44-66(52)46-64)60-38-40-72-70-20-9-11-24-76(70)86(89,90)78(72)48-60/h1-50H.
What are the key properties of 2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine?
2-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine 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-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-4-[6-[2-[4-[7-(9,9-difluorofluoren-2-yl)naphthalen-2-yl]-6-naphthalen-1-ylpyrimidin-2-yl]phenyl]naphthalen-2-yl]-6-phenylpyrimidine is sourced from PubChem (CID 163577614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).