7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C176H214BBr2N7O2 — CID 163496645

IUPAC7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccnc(C)c3)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccnc(C)c5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C88H104N4.C76H92Br2N2.C12H18BNO2/c1-7-11-15-19-23-31-53-87(54-32-24-20-16-12-8-2)81-61-67(69-51-57-89-65(5)59-69)39-47-75(81)77-49-45-73(63-83(77)87)91(71-41-43-72(44-42-71)92-85-37-29-27-35-79(85)80-36-28-30-38-86(80)92)74-46-50-78-76-48-40-68(70-52-58-90-66(6)60-70)62-82(76)88(84(78)64-74,55-33-25-21-17-13-9-3)56-34-26-22-18-14-10-4;1-5-9-13-17-21-29-49-75(50-30-22-18-14-10-6-2)69-53-57(77)37-45-63(69)65-47-43-61(55-71(65)75)79(59-39-41-60(42-40-59)80-73-35-27-25-33-67(73)68-34-26-28-36-74(68)80)62-44-48-66-64-46-38-58(78)54-70(64)76(72(66)56-62,51-31-23-19-15-11-7-3)52-32-24-20-16-12-8-4;1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13/h27-30,35-52,57-64H,7-26,31-34,53-56H2,1-6H3;25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;6-8H,1-5H3
InChIKeyCRHKGUVBSLVWIX-UHFFFAOYSA-N
MW2630.31 g/mol
LogP53.53
Rot. Bonds67

About 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 163496645) has the molecular formula C176H214BBr2N7O2 and a molecular weight of 2630.31 g/mol. Its IUPAC name is 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID163496645
Molecular FormulaC176H214BBr2N7O2
Molecular Weight2630.31 g/mol
Exact Mass2626.53
IUPAC Name7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccnc(C)c3)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccnc(C)c5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C88H104N4.C76H92Br2N2.C12H18BNO2/c1-7-11-15-19-23-31-53-87(54-32-24-20-16-12-8-2)81-61-67(69-51-57-89-65(5)59-69)39-47-75(81)77-49-45-73(63-83(77)87)91(71-41-43-72(44-42-71)92-85-37-29-27-35-79(85)80-36-28-30-38-86(80)92)74-46-50-78-76-48-40-68(70-52-58-90-66(6)60-70)62-82(76)88(84(78)64-74,55-33-25-21-17-13-9-3)56-34-26-22-18-14-10-4;1-5-9-13-17-21-29-49-75(50-30-22-18-14-10-6-2)69-53-57(77)37-45-63(69)65-47-43-61(55-71(65)75)79(59-39-41-60(42-40-59)80-73-35-27-25-33-67(73)68-34-26-28-36-74(68)80)62-44-48-66-64-46-38-58(78)54-70(64)76(72(66)56-62,51-31-23-19-15-11-7-3)52-32-24-20-16-12-8-4;1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13/h27-30,35-52,57-64H,7-26,31-34,53-56H2,1-6H3;25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;6-8H,1-5H3
InChIKeyCRHKGUVBSLVWIX-UHFFFAOYSA-N
XLogP53.53
TPSA73.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds67
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002630.31
LogP ≤ 553.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine with MolForge

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Related Compounds

3-bromo-9-[4-[7-(4-carbazol-9-ylphenyl)-9,9-dihexylfluoren-2-yl]phenyl]carbazole;3-bromo-9-(4-iodophenyl)carbazole;9-[4-[9,9-dihexyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]phenyl]carbazole
CID 158024690
7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;4-carbazol-9-ylaniline;2,7-dibromo-9,9-dioctylfluorene
CID 163812399
4-bromo-N,N-diphenylaniline;4-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-N,N-diphenylaniline;2-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 160683905
9-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]carbazole
CID 11850072
2,7-dibromo-9-[9,9-didodecyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]carbazole
CID 177385648
N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
N-[4-(6,7-dimethyl-9,9-dioctylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[4-[4-(N-phenylanilino)phenyl]phenyl]carbazol-2-yl]phenyl]aniline
CID 177287476
9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 134212481
9-[4-[(E)-2-[7-[7-[7-[7-[7-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 164784808
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-[7-[4-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-5-[4-[6-[4-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-5-[4-[7-[4-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-5-phenylphenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]phenyl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]phenyl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-5-phenylphenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 140820298
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 163496645) is 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccnc(C)c3)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5ccnc(C)c5)ccc3-4)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(Br)ccc3-4)cc21.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.
What is the InChIKey of 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is CRHKGUVBSLVWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H104N4.C76H92Br2N2.C12H18BNO2/c1-7-11-15-19-23-31-53-87(54-32-24-20-16-12-8-2)81-61-67(69-51-57-89-65(5)59-69)39-47-75(81)77-49-45-73(63-83(77)87)91(71-41-43-72(44-42-71)92-85-37-29-27-35-79(85)80-36-28-30-38-86(80)92)74-46-50-78-76-48-40-68(70-52-58-90-66(6)60-70)62-82(76)88(84(78)64-74,55-33-25-21-17-13-9-3)56-34-26-22-18-14-10-4;1-5-9-13-17-21-29-49-75(50-30-22-18-14-10-6-2)69-53-57(77)37-45-63(69)65-47-43-61(55-71(65)75)79(59-39-41-60(42-40-59)80-73-35-27-25-33-67(73)68-34-26-28-36-74(68)80)62-44-48-66-64-46-38-58(78)54-70(64)76(72(66)56-62,51-31-23-19-15-11-7-3)52-32-24-20-16-12-8-4;1-9-8-10(6-7-14-9)13-15-11(2,3)12(4,5)16-13/h27-30,35-52,57-64H,7-26,31-34,53-56H2,1-6H3;25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;6-8H,1-5H3.
What are the key properties of 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 2630.31 g/mol, XLogP of 53.53, 67 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-7-(2-methyl-4-pyridinyl)-N-[7-(2-methyl-4-pyridinyl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-amine;2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 163496645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).