11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C350H360B8N4 — CID 165095339

IUPAC11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(C)cc(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5C)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(C)c(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)c(C)c5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(C)c(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5C)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5)ccc3-4)cc21
InChIInChI=1S/3C88H91B2N.C86H87B2N/c1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)73-32-24-23-29-67(73)70-40-36-63(51-76(70)88)62-35-38-68-69-39-37-64(50-75(69)87(11,12)74(68)49-62)65-47-56(5)81(57(6)48-65)66-52-79-86-80(53-66)90(83-60(9)45-55(4)46-61(83)10)78-34-28-31-72-71-30-27-33-77(84(71)91(86)85(72)78)89(79)82-58(7)43-54(3)44-59(82)8;1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)74-32-24-23-29-66(74)69-39-36-63(50-77(69)88)62-35-38-67-68-40-37-64(51-76(68)87(11,12)75(67)49-62)72-47-57(6)73(48-56(72)5)65-52-80-86-81(53-65)90(83-60(9)45-55(4)46-61(83)10)79-34-28-31-71-70-30-27-33-78(84(70)91(86)85(71)79)89(80)82-58(7)43-54(3)44-59(82)8;1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)73-32-24-23-29-67(73)70-39-36-63(50-76(70)88)62-35-38-68-69-40-37-64(51-75(69)87(11,12)74(68)49-62)81-56(5)47-65(48-57(81)6)66-52-79-86-80(53-66)90(83-60(9)45-55(4)46-61(83)10)78-34-28-31-72-71-30-27-33-77(84(71)91(86)85(72)78)89(79)82-58(7)43-54(3)44-59(82)8;1-11-13-15-17-19-23-43-86(44-24-20-18-16-14-12-2)72-30-22-21-27-66(72)69-42-39-64(51-75(69)86)63-38-41-68-67-40-37-62(49-73(67)85(9,10)74(68)50-63)60-33-35-61(36-34-60)65-52-78-84-79(53-65)88(81-58(7)47-55(4)48-59(81)8)77-32-26-29-71-70-28-25-31-76(82(70)89(84)83(71)77)87(78)80-56(5)45-54(3)46-57(80)6/h3*23-24,27-40,43-53H,13-22,25-26,41-42H2,1-12H3;21-22,25-42,45-53H,11-20,23-24,43-44H2,1-10H3
InChIKeyXKCQICFTHMHHJH-UHFFFAOYSA-N
MW4709.25 g/mol
LogP79.32
Rot. Bonds76

About 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 165095339) has the molecular formula C350H360B8N4 and a molecular weight of 4709.25 g/mol. Its IUPAC name is 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
PubChem CID165095339
Molecular FormulaC350H360B8N4
Molecular Weight4709.25 g/mol
Exact Mass4706.90
IUPAC Name11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(C)cc(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5C)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(C)c(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)c(C)c5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(C)c(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5C)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5)ccc3-4)cc21
InChIInChI=1S/3C88H91B2N.C86H87B2N/c1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)73-32-24-23-29-67(73)70-40-36-63(51-76(70)88)62-35-38-68-69-39-37-64(50-75(69)87(11,12)74(68)49-62)65-47-56(5)81(57(6)48-65)66-52-79-86-80(53-66)90(83-60(9)45-55(4)46-61(83)10)78-34-28-31-72-71-30-27-33-77(84(71)91(86)85(72)78)89(79)82-58(7)43-54(3)44-59(82)8;1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)74-32-24-23-29-66(74)69-39-36-63(50-77(69)88)62-35-38-67-68-40-37-64(51-76(68)87(11,12)75(67)49-62)72-47-57(6)73(48-56(72)5)65-52-80-86-81(53-65)90(83-60(9)45-55(4)46-61(83)10)79-34-28-31-71-70-30-27-33-78(84(70)91(86)85(71)79)89(80)82-58(7)43-54(3)44-59(82)8;1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)73-32-24-23-29-67(73)70-39-36-63(50-76(70)88)62-35-38-68-69-40-37-64(51-75(69)87(11,12)74(68)49-62)81-56(5)47-65(48-57(81)6)66-52-79-86-80(53-66)90(83-60(9)45-55(4)46-61(83)10)78-34-28-31-72-71-30-27-33-77(84(71)91(86)85(72)78)89(79)82-58(7)43-54(3)44-59(82)8;1-11-13-15-17-19-23-43-86(44-24-20-18-16-14-12-2)72-30-22-21-27-66(72)69-42-39-64(51-75(69)86)63-38-41-68-67-40-37-62(49-73(67)85(9,10)74(68)50-63)60-33-35-61(36-34-60)65-52-78-84-79(53-65)88(81-58(7)47-55(4)48-59(81)8)77-32-26-29-71-70-28-25-31-76(82(70)89(84)83(71)77)87(78)80-56(5)45-54(3)46-57(80)6/h3*23-24,27-40,43-53H,13-22,25-26,41-42H2,1-12H3;21-22,25-42,45-53H,11-20,23-24,43-44H2,1-10H3
InChIKeyXKCQICFTHMHHJH-UHFFFAOYSA-N
XLogP79.32
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds76
Heavy Atoms362
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004709.25
LogP ≤ 579.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

11-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 164788145
13-(2,4-dimethylphenyl)-5,10-bis[7-(9,9-dioctylfluoren-2-yl)-3,9,9-trimethylfluoren-2-yl]-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 167352077
2-[9,9-dimethyl-7-(4-methylnaphthalen-1-yl)fluoren-2-yl]-7-[4-[7-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dioctylfluorene
CID 169036311
8,30-bis[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624166
8,30-bis[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624078
7-[4-[7-[7-[4-[7-(4-chlorophenyl)-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene
CID 169036189
7-[4-[7-[7-[4-[7-[7-(4-chlorophenyl)-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-[7-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9-heptyl-9-octylfluoren-2-yl]-4,9,9-trimethylfluorene
CID 169036237
8-[4-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-2,5-dimethylphenyl]-30-[2,5-dimethyl-4-(6,6,12,12-tetraoctylindeno[1,2-b]fluoren-2-yl)phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 168838146
8,30-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-19-heptyl-5,5,33,33-tetramethyl-19-octylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 168838247
2-(4-bromo-3,5-dimethylphenyl)-7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 145436592
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718
8,30-bis[4-[4-[7-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]phenyl]-19-heptyl-5,5,33,33-tetramethyl-19-octylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 168838191

Frequently Asked Questions

What is the IUPAC name of 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 165095339) is 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(C)cc(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5C)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(C)c(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)c(C)c5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc(C)c(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5C)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6cc7c8c(c6)B(c6c(C)cc(C)cc6C)c6cccc9c%10cccc(c%10n-8c69)B7c6c(C)cc(C)cc6C)cc5)ccc3-4)cc21.
What is the InChIKey of 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is XKCQICFTHMHHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C88H91B2N.C86H87B2N/c1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)73-32-24-23-29-67(73)70-40-36-63(51-76(70)88)62-35-38-68-69-39-37-64(50-75(69)87(11,12)74(68)49-62)65-47-56(5)81(57(6)48-65)66-52-79-86-80(53-66)90(83-60(9)45-55(4)46-61(83)10)78-34-28-31-72-71-30-27-33-77(84(71)91(86)85(72)78)89(79)82-58(7)43-54(3)44-59(82)8;1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)74-32-24-23-29-66(74)69-39-36-63(50-77(69)88)62-35-38-67-68-40-37-64(51-76(68)87(11,12)75(67)49-62)72-47-57(6)73(48-56(72)5)65-52-80-86-81(53-65)90(83-60(9)45-55(4)46-61(83)10)79-34-28-31-71-70-30-27-33-78(84(70)91(86)85(71)79)89(80)82-58(7)43-54(3)44-59(82)8;1-13-15-17-19-21-25-41-88(42-26-22-20-18-16-14-2)73-32-24-23-29-67(73)70-39-36-63(50-76(70)88)62-35-38-68-69-40-37-64(51-75(69)87(11,12)74(68)49-62)81-56(5)47-65(48-57(81)6)66-52-79-86-80(53-66)90(83-60(9)45-55(4)46-61(83)10)78-34-28-31-72-71-30-27-33-77(84(71)91(86)85(72)78)89(79)82-58(7)43-54(3)44-59(82)8;1-11-13-15-17-19-23-43-86(44-24-20-18-16-14-12-2)72-30-22-21-27-66(72)69-42-39-64(51-75(69)86)63-38-41-68-67-40-37-62(49-73(67)85(9,10)74(68)50-63)60-33-35-61(36-34-60)65-52-78-84-79(53-65)88(81-58(7)47-55(4)48-59(81)8)77-32-26-29-71-70-28-25-31-76(82(70)89(84)83(71)77)87(78)80-56(5)45-54(3)46-57(80)6/h3*23-24,27-40,43-53H,13-22,25-26,41-42H2,1-12H3;21-22,25-42,45-53H,11-20,23-24,43-44H2,1-10H3.
What are the key properties of 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?
11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 4709.25 g/mol, XLogP of 79.32, 76 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,5-dimethylphenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 165095339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).