2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline

C376H432N8 — CID 160630464

IUPAC2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)cc(-c4ccc5ccc6cccnc6c5n4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)nc(-c4ccc5ccc6cccnc6c5n4)n3)cc21
InChIInChI=1S/C98H112.C96H110N2.C92H106N2.C90H104N4/c1-7-11-15-19-23-33-59-97(60-34-24-20-16-12-8-2)93-63-74(6)43-55-89(93)90-57-53-81(71-95(90)97)85-67-86(69-88(68-85)87-65-83(77-37-29-27-30-38-77)64-84(66-87)78-39-31-28-32-40-78)82-54-58-92-91-56-52-80(79-50-48-76(49-51-79)47-46-75-44-41-73(5)42-45-75)70-94(91)98(96(92)72-82,61-35-25-21-17-13-9-3)62-36-26-22-18-14-10-4;1-7-11-15-19-23-33-59-95(60-34-24-20-16-12-8-2)88-63-72(6)43-55-84(88)86-57-53-79(68-90(86)95)92-70-93(98-94(97-92)83-65-81(75-37-29-27-30-38-75)64-82(66-83)76-39-31-28-32-40-76)80-54-58-87-85-56-52-78(77-50-48-74(49-51-77)47-46-73-44-41-71(5)42-45-73)67-89(85)96(91(87)69-80,61-35-25-21-17-13-9-3)62-36-26-22-18-14-10-4;1-7-11-15-19-23-27-55-91(56-28-24-20-16-12-8-2)84-60-68(6)35-50-80(84)81-52-47-75(65-86(81)91)77-61-78(63-79(62-77)88-54-49-73-45-44-72-32-31-59-93-89(72)90(73)94-88)76-48-53-83-82-51-46-74(71-42-40-70(41-43-71)39-38-69-36-33-67(5)34-37-69)64-85(82)92(87(83)66-76,57-29-25-21-17-13-9-3)58-30-26-22-18-14-10-4;1-7-11-15-19-23-27-55-89(56-28-24-20-16-12-8-2)79-60-66(6)35-50-75(79)77-52-47-73(62-81(77)89)84-64-85(94-88(93-84)83-54-49-71-45-44-70-32-31-59-91-86(70)87(71)92-83)74-48-53-78-76-51-46-72(69-42-40-68(41-43-69)39-38-67-36-33-65(5)34-37-67)61-80(76)90(82(78)63-74,57-29-25-21-17-13-9-3)58-30-26-22-18-14-10-4/h27-32,37-58,63-72H,7-26,33-36,59-62H2,1-6H3;27-32,37-58,63-70H,7-26,33-36,59-62H2,1-6H3;31-54,59-66H,7-30,55-58H2,1-6H3;31-54,59-64H,7-30,55-58H2,1-6H3/b2*47-46+;2*39-38+
InChIKeyRHVXRYRIHVLBBN-SMVTXHNJSA-N
MW5063.65 g/mol
LogP113.15
Rot. Bonds140

About 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline

2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline (PubChem CID 160630464) has the molecular formula C376H432N8 and a molecular weight of 5063.65 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline
PubChem CID160630464
Molecular FormulaC376H432N8
Molecular Weight5063.65 g/mol
Exact Mass5059.41
IUPAC Name2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)cc(-c4ccc5ccc6cccnc6c5n4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)nc(-c4ccc5ccc6cccnc6c5n4)n3)cc21
InChIInChI=1S/C98H112.C96H110N2.C92H106N2.C90H104N4/c1-7-11-15-19-23-33-59-97(60-34-24-20-16-12-8-2)93-63-74(6)43-55-89(93)90-57-53-81(71-95(90)97)85-67-86(69-88(68-85)87-65-83(77-37-29-27-30-38-77)64-84(66-87)78-39-31-28-32-40-78)82-54-58-92-91-56-52-80(79-50-48-76(49-51-79)47-46-75-44-41-73(5)42-45-75)70-94(91)98(96(92)72-82,61-35-25-21-17-13-9-3)62-36-26-22-18-14-10-4;1-7-11-15-19-23-33-59-95(60-34-24-20-16-12-8-2)88-63-72(6)43-55-84(88)86-57-53-79(68-90(86)95)92-70-93(98-94(97-92)83-65-81(75-37-29-27-30-38-75)64-82(66-83)76-39-31-28-32-40-76)80-54-58-87-85-56-52-78(77-50-48-74(49-51-77)47-46-73-44-41-71(5)42-45-73)67-89(85)96(91(87)69-80,61-35-25-21-17-13-9-3)62-36-26-22-18-14-10-4;1-7-11-15-19-23-27-55-91(56-28-24-20-16-12-8-2)84-60-68(6)35-50-80(84)81-52-47-75(65-86(81)91)77-61-78(63-79(62-77)88-54-49-73-45-44-72-32-31-59-93-89(72)90(73)94-88)76-48-53-83-82-51-46-74(71-42-40-70(41-43-71)39-38-69-36-33-67(5)34-37-69)64-85(82)92(87(83)66-76,57-29-25-21-17-13-9-3)58-30-26-22-18-14-10-4;1-7-11-15-19-23-27-55-89(56-28-24-20-16-12-8-2)79-60-66(6)35-50-75(79)77-52-47-73(62-81(77)89)84-64-85(94-88(93-84)83-54-49-71-45-44-70-32-31-59-91-86(70)87(71)92-83)74-48-53-78-76-51-46-72(69-42-40-68(41-43-69)39-38-67-36-33-65(5)34-37-67)61-80(76)90(82(78)63-74,57-29-25-21-17-13-9-3)58-30-26-22-18-14-10-4/h27-32,37-58,63-72H,7-26,33-36,59-62H2,1-6H3;27-32,37-58,63-70H,7-26,33-36,59-62H2,1-6H3;31-54,59-66H,7-30,55-58H2,1-6H3;31-54,59-64H,7-30,55-58H2,1-6H3/b2*47-46+;2*39-38+
InChIKeyRHVXRYRIHVLBBN-SMVTXHNJSA-N
XLogP113.15
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds140
Heavy Atoms384
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5005063.65
LogP ≤ 5113.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline with MolForge

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Related Compounds

2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]-1,10-phenanthroline;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[4-(4-methylphenyl)phenyl]phenyl]triphenylene;4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[4-(4-methylphenyl)phenyl]-2-triphenylen-2-ylpyrimidine
CID 161323168
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-(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-(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-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]triphenylene
CID 140686917
2-[4-[3-(3,5-diphenylphenyl)-5-(4-methyl-2,5-dioctylphenyl)phenyl]-2,5-dioctylphenyl]-6-methylanthracene;2-[3-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-5-(4-methyl-2,5-dioctylphenyl)phenyl]-1,10-phenanthroline;2-[4-[4-(6-methylanthracen-2-yl)-2,5-dioctylphenyl]-6-(4-methyl-2,5-dioctylphenyl)pyrimidin-2-yl]-1,10-phenanthroline
CID 160970680
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
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
4-[4-[(E)-2-(9,9-dihexylfluoren-2-yl)ethenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102147982
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline (CID 160630464) is 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline is CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)cc(-c4ccc5ccc6cccnc6c5n4)c3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(-c6ccc(/C=C/c7ccc(C)cc7)cc6)ccc4-5)nc(-c4ccc5ccc6cccnc6c5n4)n3)cc21.
What is the InChIKey of 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline?
The InChIKey is RHVXRYRIHVLBBN-SMVTXHNJSA-N. The full InChI is InChI=1S/C98H112.C96H110N2.C92H106N2.C90H104N4/c1-7-11-15-19-23-33-59-97(60-34-24-20-16-12-8-2)93-63-74(6)43-55-89(93)90-57-53-81(71-95(90)97)85-67-86(69-88(68-85)87-65-83(77-37-29-27-30-38-77)64-84(66-87)78-39-31-28-32-40-78)82-54-58-92-91-56-52-80(79-50-48-76(49-51-79)47-46-75-44-41-73(5)42-45-75)70-94(91)98(96(92)72-82,61-35-25-21-17-13-9-3)62-36-26-22-18-14-10-4;1-7-11-15-19-23-33-59-95(60-34-24-20-16-12-8-2)88-63-72(6)43-55-84(88)86-57-53-79(68-90(86)95)92-70-93(98-94(97-92)83-65-81(75-37-29-27-30-38-75)64-82(66-83)76-39-31-28-32-40-76)80-54-58-87-85-56-52-78(77-50-48-74(49-51-77)47-46-73-44-41-71(5)42-45-73)67-89(85)96(91(87)69-80,61-35-25-21-17-13-9-3)62-36-26-22-18-14-10-4;1-7-11-15-19-23-27-55-91(56-28-24-20-16-12-8-2)84-60-68(6)35-50-80(84)81-52-47-75(65-86(81)91)77-61-78(63-79(62-77)88-54-49-73-45-44-72-32-31-59-93-89(72)90(73)94-88)76-48-53-83-82-51-46-74(71-42-40-70(41-43-71)39-38-69-36-33-67(5)34-37-69)64-85(82)92(87(83)66-76,57-29-25-21-17-13-9-3)58-30-26-22-18-14-10-4;1-7-11-15-19-23-27-55-89(56-28-24-20-16-12-8-2)79-60-66(6)35-50-75(79)77-52-47-73(62-81(77)89)84-64-85(94-88(93-84)83-54-49-71-45-44-70-32-31-59-91-86(70)87(71)92-83)74-48-53-78-76-51-46-72(69-42-40-68(41-43-69)39-38-67-36-33-65(5)34-37-67)61-80(76)90(82(78)63-74,57-29-25-21-17-13-9-3)58-30-26-22-18-14-10-4/h27-32,37-58,63-72H,7-26,33-36,59-62H2,1-6H3;27-32,37-58,63-70H,7-26,33-36,59-62H2,1-6H3;31-54,59-66H,7-30,55-58H2,1-6H3;31-54,59-64H,7-30,55-58H2,1-6H3/b2*47-46+;2*39-38+.
What are the key properties of 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline?
2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline has a molecular weight of 5063.65 g/mol, XLogP of 113.15, 140 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine;2-[3-(3,5-diphenylphenyl)-5-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluorene;2-[3-(7-methyl-9,9-dioctylfluoren-2-yl)-5-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-1,10-phenanthroline;2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-9,9-dioctylfluoren-2-yl]pyrimidin-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 160630464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).