7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline

C182H220BBr2F6N7O2 — CID 163599667

IUPAC7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(C)c(C)c(N)c3)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5cc(C)c(C(F)(F)F)c(N)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)cc(N)c1C(F)(F)F
InChIInChI=1S/C92H109F3N4.C76H92Br2N2.C14H19BF3NO2/c1-8-12-16-20-24-32-52-90(53-33-25-21-17-13-9-2)81-58-67(69-56-64(5)66(7)85(96)60-69)40-48-75(81)77-50-46-73(62-83(77)90)98(71-42-44-72(45-43-71)99-87-38-30-28-36-79(87)80-37-29-31-39-88(80)99)74-47-51-78-76-49-41-68(70-57-65(6)89(86(97)61-70)92(93,94)95)59-82(76)91(84(78)63-74,54-34-26-22-18-14-10-3)55-35-27-23-19-15-11-4;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;1-8-6-9(7-10(19)11(8)14(16,17)18)15-20-12(2,3)13(4,5)21-15/h28-31,36-51,56-63H,8-27,32-35,52-55,96-97H2,1-7H3;25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;6-7H,19H2,1-5H3
InChIKeyGWNJZVICZRFKMZ-UHFFFAOYSA-N
MW2822.42 g/mol
LogP56.44
Rot. Bonds67

About 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline

7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline (PubChem CID 163599667) has the molecular formula C182H220BBr2F6N7O2 and a molecular weight of 2822.42 g/mol. Its IUPAC name is 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
PubChem CID163599667
Molecular FormulaC182H220BBr2F6N7O2
Molecular Weight2822.42 g/mol
Exact Mass2818.57
IUPAC Name7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(C)c(C)c(N)c3)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5cc(C)c(C(F)(F)F)c(N)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)cc(N)c1C(F)(F)F
InChIInChI=1S/C92H109F3N4.C76H92Br2N2.C14H19BF3NO2/c1-8-12-16-20-24-32-52-90(53-33-25-21-17-13-9-2)81-58-67(69-56-64(5)66(7)85(96)60-69)40-48-75(81)77-50-46-73(62-83(77)90)98(71-42-44-72(45-43-71)99-87-38-30-28-36-79(87)80-37-29-31-39-88(80)99)74-47-51-78-76-49-41-68(70-57-65(6)89(86(97)61-70)92(93,94)95)59-82(76)91(84(78)63-74,54-34-26-22-18-14-10-3)55-35-27-23-19-15-11-4;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;1-8-6-9(7-10(19)11(8)14(16,17)18)15-20-12(2,3)13(4,5)21-15/h28-31,36-51,56-63H,8-27,32-35,52-55,96-97H2,1-7H3;25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;6-7H,19H2,1-5H3
InChIKeyGWNJZVICZRFKMZ-UHFFFAOYSA-N
XLogP56.44
TPSA112.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds67
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002822.42
LogP ≤ 556.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12'-[[2-Bromo-4-[4-[5'-[[2-bromo-3-(trifluoromethyl)phenyl]methyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]-4-yl]phenyl]phenyl]methyl]-12-[(2-bromo-4-phenylphenyl)methyl]-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 162596141
9-[4-[5-Bromo-7'-(4-carbazol-9-ylphenyl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58792973
4-(7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-12,12-dimethyl-10,12-dihydro-10-azaindeno[2,1-b]fluoren-10-yl)-4'-(12,12-dimethyl-10,12-dihydro-10-azaindeno[2,1-b]fluoren-10-yl)biphenyl
CID 66797840
9-Bromo-5-(4-carbazol-9-ylphenyl)-11,11-dimethylindeno[1,2-b]carbazole
CID 67473702
3-[3-Bromo-5-[9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]phenyl]-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 122472217
4-Bromo-2'-[9-[4-(4-methylspiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 123303513
2-[3-(7,7-Dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 123756730
2-[3-[9-(9,9-Dimethylfluoren-3-yl)carbazol-2-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole
CID 144896848
4-Bromo-2'-[9-[4-(4-bromospiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-yl)phenyl]carbazol-4-yl]-11'-(4-phenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 144904757
7,7-Dimethyl-12-(9-phenylcarbazol-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indeno[1,2-a]carbazole
CID 145370319
11'-[4-[2,3,4-Triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 147575722
11'-[4-[2,3,4-Triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-6-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 148612769

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline (CID 163599667) is 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline is CCCCCCCCC1(CCCCCCCC)c2cc(-c3cc(C)c(C)c(N)c3)ccc2-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc4c(c3)C(CCCCCCCC)(CCCCCCCC)c3cc(-c5cc(C)c(C(F)(F)F)c(N)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)cc(N)c1C(F)(F)F.
What is the InChIKey of 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline?
The InChIKey is GWNJZVICZRFKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H109F3N4.C76H92Br2N2.C14H19BF3NO2/c1-8-12-16-20-24-32-52-90(53-33-25-21-17-13-9-2)81-58-67(69-56-64(5)66(7)85(96)60-69)40-48-75(81)77-50-46-73(62-83(77)90)98(71-42-44-72(45-43-71)99-87-38-30-28-36-79(87)80-37-29-31-39-88(80)99)74-47-51-78-76-49-41-68(70-57-65(6)89(86(97)61-70)92(93,94)95)59-82(76)91(84(78)63-74,54-34-26-22-18-14-10-3)55-35-27-23-19-15-11-4;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;1-8-6-9(7-10(19)11(8)14(16,17)18)15-20-12(2,3)13(4,5)21-15/h28-31,36-51,56-63H,8-27,32-35,52-55,96-97H2,1-7H3;25-28,33-48,53-56H,5-24,29-32,49-52H2,1-4H3;6-7H,19H2,1-5H3.
What are the key properties of 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline?
7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline has a molecular weight of 2822.42 g/mol, XLogP of 56.44, 67 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-4,5-dimethylphenyl)-N-[7-[3-amino-5-methyl-4-(trifluoromethyl)phenyl]-9,9-dioctylfluoren-2-yl]-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;7-bromo-N-(7-bromo-9,9-dioctylfluoren-2-yl)-N-(4-carbazol-9-ylphenyl)-9,9-dioctylfluoren-2-amine;3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 163599667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).