2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole

C394H444N8 — CID 159090488

IUPAC2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)cc(-c4nc5ccccc5n4-c4ccccc4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)nc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)n3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)nc(-c4nc5ccccc5n4-c4ccccc4)n3)cc21
InChIInChI=1S/C102H114.C100H112N2.C97H110N2.C95H108N4/c1-7-11-15-19-23-35-61-101(62-36-24-20-16-12-8-2)97-66-76(6)51-56-92(97)93-59-54-82(73-99(93)101)86-68-87(70-88(69-86)96-71-80(77-42-29-27-30-43-77)52-57-91(96)78-44-31-28-32-45-78)83-55-60-95-94-58-53-81(79-46-40-48-85(67-79)90-50-34-33-49-89(90)84-47-39-41-75(5)65-84)72-98(94)102(100(95)74-83,63-37-25-21-17-13-9-3)64-38-26-22-18-14-10-4;1-7-11-15-19-23-35-61-99(62-36-24-20-16-12-8-2)92-66-74(6)51-56-87(92)89-59-54-82(70-94(89)99)96-72-97(102-98(101-96)91-68-78(75-42-29-27-30-43-75)52-57-86(91)76-44-31-28-32-45-76)83-55-60-90-88-58-53-79(77-46-40-48-81(67-77)85-50-34-33-49-84(85)80-47-39-41-73(5)65-80)69-93(88)100(95(90)71-83,63-37-25-21-17-13-9-3)64-38-26-22-18-14-10-4;1-7-11-15-19-23-34-58-96(59-35-24-20-16-12-8-2)89-63-72(6)50-54-85(89)86-56-52-75(69-91(86)96)79-65-80(67-81(66-79)95-98-93-48-32-33-49-94(93)99(95)82-44-28-27-29-45-82)76-53-57-88-87-55-51-74(73-41-39-43-78(64-73)84-47-31-30-46-83(84)77-42-38-40-71(5)62-77)68-90(87)97(92(88)70-76,60-36-25-21-17-13-9-3)61-37-26-22-18-14-10-4;1-7-11-15-19-23-34-58-94(59-35-24-20-16-12-8-2)84-63-70(6)50-54-80(84)82-56-52-75(66-86(82)94)89-68-90(97-92(96-89)93-98-88-48-32-33-49-91(88)99(93)77-44-28-27-29-45-77)76-53-57-83-81-55-51-72(71-41-39-43-74(64-71)79-47-31-30-46-78(79)73-42-38-40-69(5)62-73)65-85(81)95(87(83)67-76,60-36-25-21-17-13-9-3)61-37-26-22-18-14-10-4/h27-34,39-60,65-74H,7-26,35-38,61-64H2,1-6H3;27-34,39-60,65-72H,7-26,35-38,61-64H2,1-6H3;27-33,38-57,62-70H,7-26,34-37,58-61H2,1-6H3;27-33,38-57,62-68H,7-26,34-37,58-61H2,1-6H3
InChIKeyKBZQXBUHLLKJQK-UHFFFAOYSA-N
MW5291.94 g/mol
LogP118.29
Rot. Bonds142

About 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole

2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole (PubChem CID 159090488) has the molecular formula C394H444N8 and a molecular weight of 5291.94 g/mol. Its IUPAC name is 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole
PubChem CID159090488
Molecular FormulaC394H444N8
Molecular Weight5291.94 g/mol
Exact Mass5287.50
IUPAC Name2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)cc(-c4nc5ccccc5n4-c4ccccc4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)nc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)n3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)nc(-c4nc5ccccc5n4-c4ccccc4)n3)cc21
InChIInChI=1S/C102H114.C100H112N2.C97H110N2.C95H108N4/c1-7-11-15-19-23-35-61-101(62-36-24-20-16-12-8-2)97-66-76(6)51-56-92(97)93-59-54-82(73-99(93)101)86-68-87(70-88(69-86)96-71-80(77-42-29-27-30-43-77)52-57-91(96)78-44-31-28-32-45-78)83-55-60-95-94-58-53-81(79-46-40-48-85(67-79)90-50-34-33-49-89(90)84-47-39-41-75(5)65-84)72-98(94)102(100(95)74-83,63-37-25-21-17-13-9-3)64-38-26-22-18-14-10-4;1-7-11-15-19-23-35-61-99(62-36-24-20-16-12-8-2)92-66-74(6)51-56-87(92)89-59-54-82(70-94(89)99)96-72-97(102-98(101-96)91-68-78(75-42-29-27-30-43-75)52-57-86(91)76-44-31-28-32-45-76)83-55-60-90-88-58-53-79(77-46-40-48-81(67-77)85-50-34-33-49-84(85)80-47-39-41-73(5)65-80)69-93(88)100(95(90)71-83,63-37-25-21-17-13-9-3)64-38-26-22-18-14-10-4;1-7-11-15-19-23-34-58-96(59-35-24-20-16-12-8-2)89-63-72(6)50-54-85(89)86-56-52-75(69-91(86)96)79-65-80(67-81(66-79)95-98-93-48-32-33-49-94(93)99(95)82-44-28-27-29-45-82)76-53-57-88-87-55-51-74(73-41-39-43-78(64-73)84-47-31-30-46-83(84)77-42-38-40-71(5)62-77)68-90(87)97(92(88)70-76,60-36-25-21-17-13-9-3)61-37-26-22-18-14-10-4;1-7-11-15-19-23-34-58-94(59-35-24-20-16-12-8-2)84-63-70(6)50-54-80(84)82-56-52-75(66-86(82)94)89-68-90(97-92(96-89)93-98-88-48-32-33-49-91(88)99(93)77-44-28-27-29-45-77)76-53-57-83-81-55-51-72(71-41-39-43-74(64-71)79-47-31-30-46-78(79)73-42-38-40-69(5)62-73)65-85(81)95(87(83)67-76,60-36-25-21-17-13-9-3)61-37-26-22-18-14-10-4/h27-34,39-60,65-74H,7-26,35-38,61-64H2,1-6H3;27-34,39-60,65-72H,7-26,35-38,61-64H2,1-6H3;27-33,38-57,62-70H,7-26,34-37,58-61H2,1-6H3;27-33,38-57,62-68H,7-26,34-37,58-61H2,1-6H3
InChIKeyKBZQXBUHLLKJQK-UHFFFAOYSA-N
XLogP118.29
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds142
Heavy Atoms402
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005291.94
LogP ≤ 5118.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole with MolForge

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Related Compounds

2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[3-[2-(3-methylphenyl)phenyl]phenyl]pyrimidin-2-yl]-1-phenylbenzimidazole
CID 118345747
2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene
CID 140686916
2-[3-(2,5-diphenylphenyl)-5-[3-[2-(3-methylphenyl)phenyl]phenyl]phenyl]-7-methyl-9,9-dioctylfluorene
CID 123179405
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]pyrimidine
CID 118345693
2-(3,5-diphenylphenyl)-4-[4-[4-[2-(3,5-diphenylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)pyrimidin-4-yl]phenyl]phenyl]-6-methylpyrimidine
CID 118345427
2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-(5-methylnaphthalen-1-yl)-9,9-dioctylfluoren-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 118345499
2-[3-acenaphthylen-4-yl-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene
CID 140686909
2-(9,9-dioctylfluoren-1-yl)-1-(4-methylphenyl)benzimidazole
CID 141297702
1-[4-(9,9-diethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-2-phenylbenzimidazole
CID 143828917
9-[4-[9,9-dibutyl-7-(4-carbazol-9-ylphenyl)fluoren-2-yl]phenyl]-3-[3-[3-(3-methylphenyl)phenyl]phenyl]carbazole
CID 139501194
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-[3-methyl-5-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]phenyl]carbazole
CID 118345900

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole?
The IUPAC name of 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole (CID 159090488) is 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole?
The canonical SMILES for 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)cc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)cc(-c4nc5ccccc5n4-c4ccccc4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)nc(-c4cc(-c5ccccc5)ccc4-c4ccccc4)n3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6cccc(-c7ccccc7-c7cccc(C)c7)c6)ccc4-5)nc(-c4nc5ccccc5n4-c4ccccc4)n3)cc21.
What is the InChIKey of 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole?
The InChIKey is KBZQXBUHLLKJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H114.C100H112N2.C97H110N2.C95H108N4/c1-7-11-15-19-23-35-61-101(62-36-24-20-16-12-8-2)97-66-76(6)51-56-92(97)93-59-54-82(73-99(93)101)86-68-87(70-88(69-86)96-71-80(77-42-29-27-30-43-77)52-57-91(96)78-44-31-28-32-45-78)83-55-60-95-94-58-53-81(79-46-40-48-85(67-79)90-50-34-33-49-89(90)84-47-39-41-75(5)65-84)72-98(94)102(100(95)74-83,63-37-25-21-17-13-9-3)64-38-26-22-18-14-10-4;1-7-11-15-19-23-35-61-99(62-36-24-20-16-12-8-2)92-66-74(6)51-56-87(92)89-59-54-82(70-94(89)99)96-72-97(102-98(101-96)91-68-78(75-42-29-27-30-43-75)52-57-86(91)76-44-31-28-32-45-76)83-55-60-90-88-58-53-79(77-46-40-48-81(67-77)85-50-34-33-49-84(85)80-47-39-41-73(5)65-80)69-93(88)100(95(90)71-83,63-37-25-21-17-13-9-3)64-38-26-22-18-14-10-4;1-7-11-15-19-23-34-58-96(59-35-24-20-16-12-8-2)89-63-72(6)50-54-85(89)86-56-52-75(69-91(86)96)79-65-80(67-81(66-79)95-98-93-48-32-33-49-94(93)99(95)82-44-28-27-29-45-82)76-53-57-88-87-55-51-74(73-41-39-43-78(64-73)84-47-31-30-46-83(84)77-42-38-40-71(5)62-77)68-90(87)97(92(88)70-76,60-36-25-21-17-13-9-3)61-37-26-22-18-14-10-4;1-7-11-15-19-23-34-58-94(59-35-24-20-16-12-8-2)84-63-70(6)50-54-80(84)82-56-52-75(66-86(82)94)89-68-90(97-92(96-89)93-98-88-48-32-33-49-91(88)99(93)77-44-28-27-29-45-77)76-53-57-83-81-55-51-72(71-41-39-43-74(64-71)79-47-31-30-46-78(79)73-42-38-40-69(5)62-73)65-85(81)95(87(83)67-76,60-36-25-21-17-13-9-3)61-37-26-22-18-14-10-4/h27-34,39-60,65-74H,7-26,35-38,61-64H2,1-6H3;27-34,39-60,65-72H,7-26,35-38,61-64H2,1-6H3;27-33,38-57,62-70H,7-26,34-37,58-61H2,1-6H3;27-33,38-57,62-68H,7-26,34-37,58-61H2,1-6H3.
What are the key properties of 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole?
2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole has a molecular weight of 5291.94 g/mol, XLogP of 118.29, 142 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(2,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1-phenylbenzimidazole;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[3-[2-(3-methylphenyl)phenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1-phenylbenzimidazole is sourced from PubChem (CID 159090488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).