2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C185H214B2Br8N12O4 — CID 159431030

IUPAC2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1.CCCCCCc1ccc(-c2cccc(-c3nc(-c4cccc(Br)c4)nc(-c4cccc(Br)c4)n3)c2)cc1.CCc1cc(B2OC(C)(C)C(C)(C)O2)c(CC)cc1CCCCc1cc(CC)c(B2OC(C)(C)C(C)(C)O2)cc1CC.Cc1c(-c2ccc(C(C)(C)CC(C)(C)C)cc2)cc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1-c1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C50H55Br2N3.C36H56B2O4.C33H29Br2N3.2C33H37Br2N3/c1-32-42(33-18-22-38(23-19-33)49(8,9)30-47(2,3)4)28-37(29-43(32)34-20-24-39(25-21-34)50(10,11)31-48(5,6)7)46-54-44(35-14-12-16-40(51)26-35)53-45(55-46)36-15-13-17-41(52)27-36;1-13-25-23-31(37-39-33(5,6)34(7,8)40-37)27(15-3)21-29(25)19-17-18-20-30-22-28(16-4)32(24-26(30)14-2)38-41-35(9,10)36(11,12)42-38;1-2-3-4-5-9-23-16-18-24(19-17-23)25-10-6-11-26(20-25)31-36-32(27-12-7-14-29(34)21-27)38-33(37-31)28-13-8-15-30(35)22-28;1-2-3-4-5-6-7-8-9-10-11-14-25-19-21-26(22-20-25)31-36-32(27-15-12-17-29(34)23-27)38-33(37-31)28-16-13-18-30(35)24-28;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/h12-29H,30-31H2,1-11H3;21-24H,13-20H2,1-12H3;6-8,10-22H,2-5,9H2,1H3;12-13,15-24H,2-11,14H2,1H3;13-24H,2-12H2,1H3
InChIKeyLQZIAWOJSAIIRA-UHFFFAOYSA-N
MW3330.68 g/mol
LogP54.48
Rot. Bonds57

About 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 159431030) has the molecular formula C185H214B2Br8N12O4 and a molecular weight of 3330.68 g/mol. Its IUPAC name is 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID159431030
Molecular FormulaC185H214B2Br8N12O4
Molecular Weight3330.68 g/mol
Exact Mass3321.06
IUPAC Name2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1.CCCCCCc1ccc(-c2cccc(-c3nc(-c4cccc(Br)c4)nc(-c4cccc(Br)c4)n3)c2)cc1.CCc1cc(B2OC(C)(C)C(C)(C)O2)c(CC)cc1CCCCc1cc(CC)c(B2OC(C)(C)C(C)(C)O2)cc1CC.Cc1c(-c2ccc(C(C)(C)CC(C)(C)C)cc2)cc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1-c1ccc(C(C)(C)CC(C)(C)C)cc1
InChIInChI=1S/C50H55Br2N3.C36H56B2O4.C33H29Br2N3.2C33H37Br2N3/c1-32-42(33-18-22-38(23-19-33)49(8,9)30-47(2,3)4)28-37(29-43(32)34-20-24-39(25-21-34)50(10,11)31-48(5,6)7)46-54-44(35-14-12-16-40(51)26-35)53-45(55-46)36-15-13-17-41(52)27-36;1-13-25-23-31(37-39-33(5,6)34(7,8)40-37)27(15-3)21-29(25)19-17-18-20-30-22-28(16-4)32(24-26(30)14-2)38-41-35(9,10)36(11,12)42-38;1-2-3-4-5-9-23-16-18-24(19-17-23)25-10-6-11-26(20-25)31-36-32(27-12-7-14-29(34)21-27)38-33(37-31)28-13-8-15-30(35)22-28;1-2-3-4-5-6-7-8-9-10-11-14-25-19-21-26(22-20-25)31-36-32(27-15-12-17-29(34)23-27)38-33(37-31)28-16-13-18-30(35)24-28;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/h12-29H,30-31H2,1-11H3;21-24H,13-20H2,1-12H3;6-8,10-22H,2-5,9H2,1H3;12-13,15-24H,2-11,14H2,1H3;13-24H,2-12H2,1H3
InChIKeyLQZIAWOJSAIIRA-UHFFFAOYSA-N
XLogP54.48
TPSA191.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds57
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003330.68
LogP ≤ 554.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 159431030) is 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1.CCCCCCc1ccc(-c2cccc(-c3nc(-c4cccc(Br)c4)nc(-c4cccc(Br)c4)n3)c2)cc1.CCc1cc(B2OC(C)(C)C(C)(C)O2)c(CC)cc1CCCCc1cc(CC)c(B2OC(C)(C)C(C)(C)O2)cc1CC.Cc1c(-c2ccc(C(C)(C)CC(C)(C)C)cc2)cc(-c2nc(-c3cccc(Br)c3)nc(-c3cccc(Br)c3)n2)cc1-c1ccc(C(C)(C)CC(C)(C)C)cc1.
What is the InChIKey of 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LQZIAWOJSAIIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H55Br2N3.C36H56B2O4.C33H29Br2N3.2C33H37Br2N3/c1-32-42(33-18-22-38(23-19-33)49(8,9)30-47(2,3)4)28-37(29-43(32)34-20-24-39(25-21-34)50(10,11)31-48(5,6)7)46-54-44(35-14-12-16-40(51)26-35)53-45(55-46)36-15-13-17-41(52)27-36;1-13-25-23-31(37-39-33(5,6)34(7,8)40-37)27(15-3)21-29(25)19-17-18-20-30-22-28(16-4)32(24-26(30)14-2)38-41-35(9,10)36(11,12)42-38;1-2-3-4-5-9-23-16-18-24(19-17-23)25-10-6-11-26(20-25)31-36-32(27-12-7-14-29(34)21-27)38-33(37-31)28-13-8-15-30(35)22-28;1-2-3-4-5-6-7-8-9-10-11-14-25-19-21-26(22-20-25)31-36-32(27-15-12-17-29(34)23-27)38-33(37-31)28-16-13-18-30(35)24-28;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/h12-29H,30-31H2,1-11H3;21-24H,13-20H2,1-12H3;6-8,10-22H,2-5,9H2,1H3;12-13,15-24H,2-11,14H2,1H3;13-24H,2-12H2,1H3.
What are the key properties of 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 3330.68 g/mol, XLogP of 54.48, 57 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[3-(4-hexylphenyl)phenyl]-1,3,5-triazine;2,4-bis(3-bromophenyl)-6-[4-methyl-3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]-1,3,5-triazine;2-[4-[4-[2,5-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]butyl]-2,5-diethylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 159431030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).