2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane

C124H137B2Br6N5O4 — CID 158272157

About 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane

2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane (PubChem CID 158272157) has the molecular formula C124H137B2Br6N5O4 and a molecular weight of 2262.54 g/mol. Its IUPAC name is 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane
• PubChem CID: 158272157
• Molecular Formula: C124H137B2Br6N5O4
• Molecular Weight: 2262.54 g/mol
• Exact Mass: 2255.60
• IUPAC Name: 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane
• SMILES: Brc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)CC3)cc1.CCC(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(-c4c(C)cc(Br)cc4C)cc3)nc(-c3ccc(-c4c(C)cc(Br)cc4C)cc3)n2)cc1
• InChI: InChI=1S/C49H53Br2N3.C33H48B2O4.C22H21Br2N.C20H15Br2N/c1-6-7-8-9-10-11-12-13-14-15-16-37-17-19-40(20-18-37)47-52-48(41-25-21-38(22-26-41)45-33(2)29-43(50)30-34(45)3)54-49(53-47)42-27-23-39(24-28-42)46-35(4)31-44(51)32-36(46)5;1-3-5-7-9-11-13-19-33(20-14-12-10-8-6-4-2)31-25-27(34-36-21-22-37-34)15-17-29(31)30-18-16-28(26-32(30)33)35-38-23-24-39-35;1-3-16(2)17-4-10-20(11-5-17)25(21-12-6-18(23)7-13-21)22-14-8-19(24)9-15-22;21-16-4-9-18(10-5-16)23(19-11-6-17(22)7-12-19)20-8-3-14-1-2-15(14)13-20/h17-32H,6-16H2,1-5H3;15-18,25-26H,3-14,19-24H2,1-2H3;4-16H,3H2,1-2H3;3-13H,1-2H2
• InChIKey: GJEBPTHGCZOLHU-UHFFFAOYSA-N
• XLogP: 37.34
• TPSA: 82.07 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 40
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2262.54
LogP ≤ 5	37.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane?

The IUPAC name of 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane (CID 158272157) is 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane is Brc1ccc(N(c2ccc(Br)cc2)c2ccc3c(c2)CC3)cc1.CCC(C)c1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.CCCCCCCCC1(CCCCCCCC)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(-c4c(C)cc(Br)cc4C)cc3)nc(-c3ccc(-c4c(C)cc(Br)cc4C)cc3)n2)cc1.

What is the InChIKey of 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane?

The InChIKey is GJEBPTHGCZOLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H53Br2N3.C33H48B2O4.C22H21Br2N.C20H15Br2N/c1-6-7-8-9-10-11-12-13-14-15-16-37-17-19-40(20-18-37)47-52-48(41-25-21-38(22-26-41)45-33(2)29-43(50)30-34(45)3)54-49(53-47)42-27-23-39(24-28-42)46-35(4)31-44(51)32-36(46)5;1-3-5-7-9-11-13-19-33(20-14-12-10-8-6-4-2)31-25-27(34-36-21-22-37-34)15-17-29(31)30-18-16-28(26-32(30)33)35-38-23-24-39-35;1-3-16(2)17-4-10-20(11-5-17)25(21-12-6-18(23)7-13-21)22-14-8-19(24)9-15-22;21-16-4-9-18(10-5-16)23(19-11-6-17(22)7-12-19)20-8-3-14-1-2-15(14)13-20/h17-32H,6-16H2,1-5H3;15-18,25-26H,3-14,19-24H2,1-2H3;4-16H,3H2,1-2H3;3-13H,1-2H2.

What are the key properties of 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane?

2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane has a molecular weight of 2262.54 g/mol, XLogP of 37.34, 40 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[4-(4-bromo-2,6-dimethylphenyl)phenyl]-6-(4-dodecylphenyl)-1,3,5-triazine;N,N-bis(4-bromophenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine;N,N-bis(4-bromophenyl)-4-butan-2-ylaniline;2-[7-(1,3,2-dioxaborolan-2-yl)-9,9-dioctylfluoren-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 158272157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).