N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine

C182H232B4Br4N4O8 — CID 161494529

IUPACN,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine
SMILESCCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.CCCCCCc1cc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(CCCCCC)c2)c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)ccc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1cc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(CCCCCC)c2)c2ccc3c(c2)c2cc(CC)ccc2n3-c2ccc(C)cc2)ccc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C57H74B2N2O4.C52H71B2NO4.C49H64Br2.C24H23Br2N/c1-13-16-18-20-22-42-37-45(29-32-50(42)58-62-54(5,6)55(7,8)63-58)60(46-30-33-51(43(38-46)23-21-19-17-14-2)59-64-56(9,10)57(11,12)65-59)47-31-35-53-49(39-47)48-36-41(15-3)26-34-52(48)61(53)44-27-24-40(4)25-28-44;1-14-16-18-20-22-37-33-39(26-30-46(37)53-56-49(6,7)50(8,9)57-53)55(41-25-29-43-42-28-24-36(3)32-44(42)48(4,5)45(43)35-41)40-27-31-47(38(34-40)23-21-19-17-15-2)54-58-51(10,11)52(12,13)59-54;1-5-9-13-17-21-37-29-38(22-18-14-10-6-2)32-41(31-37)49(47-35-43(50)25-27-45(47)46-28-26-44(51)36-48(46)49)42-33-39(23-19-15-11-7-3)30-40(34-42)24-20-16-12-8-4;1-2-3-4-5-6-17-7-11-20(12-8-17)27-23-13-9-18(25)15-21(23)22-16-19(26)10-14-24(22)27/h24-39H,13-23H2,1-12H3;24-35H,14-23H2,1-13H3;25-36H,5-24H2,1-4H3;7-16H,2-6H2,1H3
InChIKeyWGAIFEZKZVWMMG-UHFFFAOYSA-N
MW2966.74 g/mol
LogP51.08
Rot. Bonds60

About N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine

N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine (PubChem CID 161494529) has the molecular formula C182H232B4Br4N4O8 and a molecular weight of 2966.74 g/mol. Its IUPAC name is N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine
PubChem CID161494529
Molecular FormulaC182H232B4Br4N4O8
Molecular Weight2966.74 g/mol
Exact Mass2961.50
IUPAC NameN,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine
SMILESCCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.CCCCCCc1cc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(CCCCCC)c2)c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)ccc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1cc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(CCCCCC)c2)c2ccc3c(c2)c2cc(CC)ccc2n3-c2ccc(C)cc2)ccc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1
InChIInChI=1S/C57H74B2N2O4.C52H71B2NO4.C49H64Br2.C24H23Br2N/c1-13-16-18-20-22-42-37-45(29-32-50(42)58-62-54(5,6)55(7,8)63-58)60(46-30-33-51(43(38-46)23-21-19-17-14-2)59-64-56(9,10)57(11,12)65-59)47-31-35-53-49(39-47)48-36-41(15-3)26-34-52(48)61(53)44-27-24-40(4)25-28-44;1-14-16-18-20-22-37-33-39(26-30-46(37)53-56-49(6,7)50(8,9)57-53)55(41-25-29-43-42-28-24-36(3)32-44(42)48(4,5)45(43)35-41)40-27-31-47(38(34-40)23-21-19-17-15-2)54-58-51(10,11)52(12,13)59-54;1-5-9-13-17-21-37-29-38(22-18-14-10-6-2)32-41(31-37)49(47-35-43(50)25-27-45(47)46-28-26-44(51)36-48(46)49)42-33-39(23-19-15-11-7-3)30-40(34-42)24-20-16-12-8-4;1-2-3-4-5-6-17-7-11-20(12-8-17)27-23-13-9-18(25)15-21(23)22-16-19(26)10-14-24(22)27/h24-39H,13-23H2,1-12H3;24-35H,14-23H2,1-13H3;25-36H,5-24H2,1-4H3;7-16H,2-6H2,1H3
InChIKeyWGAIFEZKZVWMMG-UHFFFAOYSA-N
XLogP51.08
TPSA90.18 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds60
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002966.74
LogP ≤ 551.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine 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

6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine
CID 135167848
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-[4-(3,6-dihexylcarbazol-9-yl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 170936081
1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,7-dibromo-9,9-bis(4-hexylphenyl)fluorene;2-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 157123226
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene
CID 158886972
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dibromofluorene;2-N,7-N-bis(4-bromophenyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(pent-4-enyl)fluorene;2,7-dibromo-9,9-dioctylfluorene;methane
CID 161110956
N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
CID 130398280
2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol;N-[4-[2,7-dibromo-9-(4-hexylphenyl)fluoren-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 158706072
4-bromo-N,N-diphenylaniline;4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N,N-diphenylaniline;3,6-ditert-butyl-9-(4-hexylphenyl)carbazole;3,6-ditert-butyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157305999
9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,7-dimethylfluorene;9,9-bis(3,5-dihexylphenyl)-2,7-dimethylfluorene;2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 159912719
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 123999534

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine?
The IUPAC name of N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine (CID 161494529) is N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine.
What is the SMILES notation for N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine?
The canonical SMILES for N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine is CCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.CCCCCCc1cc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(CCCCCC)c2)c2ccc3c(c2)C(C)(C)c2cc(C)ccc2-3)ccc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1cc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(CCCCCC)c2)c2ccc3c(c2)c2cc(CC)ccc2n3-c2ccc(C)cc2)ccc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1.
What is the InChIKey of N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine?
The InChIKey is WGAIFEZKZVWMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H74B2N2O4.C52H71B2NO4.C49H64Br2.C24H23Br2N/c1-13-16-18-20-22-42-37-45(29-32-50(42)58-62-54(5,6)55(7,8)63-58)60(46-30-33-51(43(38-46)23-21-19-17-14-2)59-64-56(9,10)57(11,12)65-59)47-31-35-53-49(39-47)48-36-41(15-3)26-34-52(48)61(53)44-27-24-40(4)25-28-44;1-14-16-18-20-22-37-33-39(26-30-46(37)53-56-49(6,7)50(8,9)57-53)55(41-25-29-43-42-28-24-36(3)32-44(42)48(4,5)45(43)35-41)40-27-31-47(38(34-40)23-21-19-17-15-2)54-58-51(10,11)52(12,13)59-54;1-5-9-13-17-21-37-29-38(22-18-14-10-6-2)32-41(31-37)49(47-35-43(50)25-27-45(47)46-28-26-44(51)36-48(46)49)42-33-39(23-19-15-11-7-3)30-40(34-42)24-20-16-12-8-4;1-2-3-4-5-6-17-7-11-20(12-8-17)27-23-13-9-18(25)15-21(23)22-16-19(26)10-14-24(22)27/h24-39H,13-23H2,1-12H3;24-35H,14-23H2,1-13H3;25-36H,5-24H2,1-4H3;7-16H,2-6H2,1H3.
What are the key properties of N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine?
N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine has a molecular weight of 2966.74 g/mol, XLogP of 51.08, 60 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-7,9,9-trimethylfluoren-2-amine;2,7-dibromo-9,9-bis(3,5-dihexylphenyl)fluorene;3,6-dibromo-9-(4-hexylphenyl)carbazole;6-ethyl-N,N-bis[3-hexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-(4-methylphenyl)carbazol-3-amine is sourced from PubChem (CID 161494529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).