2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine

C138H184B2Br2N6O4 — CID 158786483

IUPAC2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-5)cc3)n2)cc1
InChIInChI=1S/C64H83N3.C41H64B2O4.C33H37Br2N3/c1-6-9-12-15-18-19-20-21-22-25-28-51-32-36-54(37-33-51)62-65-61(53-34-29-49(4)30-35-53)66-63(67-62)55-40-38-52(39-41-55)56-42-44-58-57-43-31-50(5)47-59(57)64(60(58)48-56,45-26-23-16-13-10-7-2)46-27-24-17-14-11-8-3;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28/h29-44,47-48H,6-28,45-46H2,1-5H3;23-26,29-30H,11-22,27-28H2,1-10H3;13-24H,2-12H2,1H3
InChIKeyIRTDBVIREBCHLL-UHFFFAOYSA-N
MW2172.46 g/mol
LogP40.30
Rot. Bonds59

About 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine

2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine (PubChem CID 158786483) has the molecular formula C138H184B2Br2N6O4 and a molecular weight of 2172.46 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine
PubChem CID158786483
Molecular FormulaC138H184B2Br2N6O4
Molecular Weight2172.46 g/mol
Exact Mass2169.29
IUPAC Name2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-5)cc3)n2)cc1
InChIInChI=1S/C64H83N3.C41H64B2O4.C33H37Br2N3/c1-6-9-12-15-18-19-20-21-22-25-28-51-32-36-54(37-33-51)62-65-61(53-34-29-49(4)30-35-53)66-63(67-62)55-40-38-52(39-41-55)56-42-44-58-57-43-31-50(5)47-59(57)64(60(58)48-56,45-26-23-16-13-10-7-2)46-27-24-17-14-11-8-3;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28/h29-44,47-48H,6-28,45-46H2,1-5H3;23-26,29-30H,11-22,27-28H2,1-10H3;13-24H,2-12H2,1H3
InChIKeyIRTDBVIREBCHLL-UHFFFAOYSA-N
XLogP40.30
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds59
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002172.46
LogP ≤ 540.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

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 159992290
(7-Borono-9,9-difluorofluoren-2-yl)boronic acid;2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-difluorofluoren-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157508253
2-[4-[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-chloro-4,6-diphenyl-1,3,5-triazine
CID 159391993
3-Bromo-6-chloro-9,9-difluorofluorene;3-chloro-6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluorene;(9,9-diphenylfluoren-2-yl)boronic acid;2-[6-(9,9-diphenylfluoren-2-yl)-9,9-difluorofluoren-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,5-triazine
CID 160455868
2-Bromo-9,9-difluorofluorene;2-[4-(9,9-difluorofluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 161209487
2-(2',7'-Dibromo-9,9'-spirobi[fluorene]-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 68014585
2-(7-Bromo-9,9-dioctylfluoren-2-yl)-4-[4-[4-[4-(7-bromo-9,9-dioctylfluoren-2-yl)-6-(4-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-6-(4-butylphenyl)-1,3,5-triazine
CID 88531614
2-(7-Bromo-9,9-dioctylfluoren-2-yl)-4-[4-(7-bromo-9,9-dioctylfluoren-2-yl)-6-(4-butylphenyl)-1,3,5-triazin-2-yl]-6-(4-butylphenyl)-1,3,5-triazine
CID 88531802
2,4,6-Tris(7-bromo-9,9-diethylfluoren-2-yl)-1,3,5-triazine
CID 89203500
2-(4-Bromophenyl)-4,6-bis(9,9-dimethyl-9h-fluoren-3-yl)-1,3,5-triazine
CID 125479952
2-(9,9-Dimethylfluoren-3-yl)-4-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140796992
2-(9,9-Diphenylfluoren-4-yl)-4-phenyl-6-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 140902001

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine (CID 158786483) is 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine is CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(C)ccc4-5)cc3)n2)cc1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine?
The InChIKey is IRTDBVIREBCHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H83N3.C41H64B2O4.C33H37Br2N3/c1-6-9-12-15-18-19-20-21-22-25-28-51-32-36-54(37-33-51)62-65-61(53-34-29-49(4)30-35-53)66-63(67-62)55-40-38-52(39-41-55)56-42-44-58-57-43-31-50(5)47-59(57)64(60(58)48-56,45-26-23-16-13-10-7-2)46-27-24-17-14-11-8-3;1-11-13-15-17-19-21-27-41(28-22-20-18-16-14-12-2)35-29-31(42-44-37(3,4)38(5,6)45-42)23-25-33(35)34-26-24-32(30-36(34)41)43-46-39(7,8)40(9,10)47-43;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28/h29-44,47-48H,6-28,45-46H2,1-5H3;23-26,29-30H,11-22,27-28H2,1-10H3;13-24H,2-12H2,1H3.
What are the key properties of 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine?
2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine has a molecular weight of 2172.46 g/mol, XLogP of 40.30, 59 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;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;2-(4-dodecylphenyl)-4-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]-6-(4-methylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158786483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).