2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline

C57H62Br4N4 — CID 159562758

IUPAC2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline
SMILESCc1c(Br)cc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1Br.Cc1c(Br)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1Br
InChIInChI=1S/C30H31Br2N3.C27H31Br2N/c1-18-24(31)16-21(17-25(18)32)28-34-26(19-8-12-22(13-9-19)29(2,3)4)33-27(35-28)20-10-14-23(15-11-20)30(5,6)7;1-18-24(28)16-23(17-25(18)29)30(21-12-8-19(9-13-21)26(2,3)4)22-14-10-20(11-15-22)27(5,6)7/h8-17H,1-7H3;8-17H,1-7H3
InChIKeyMGVDADNOCYYPGL-UHFFFAOYSA-N
MW1122.77 g/mol
LogP18.89
Rot. Bonds6

About 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline

2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline (PubChem CID 159562758) has the molecular formula C57H62Br4N4 and a molecular weight of 1122.77 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline.

Molecular Properties

Compound Name2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline
PubChem CID159562758
Molecular FormulaC57H62Br4N4
Molecular Weight1122.77 g/mol
Exact Mass1118.17
IUPAC Name2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline
SMILESCc1c(Br)cc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1Br.Cc1c(Br)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1Br
InChIInChI=1S/C30H31Br2N3.C27H31Br2N/c1-18-24(31)16-21(17-25(18)32)28-34-26(19-8-12-22(13-9-19)29(2,3)4)33-27(35-28)20-10-14-23(15-11-20)30(5,6)7;1-18-24(28)16-23(17-25(18)29)30(21-12-8-19(9-13-21)26(2,3)4)22-14-10-20(11-15-22)27(5,6)7/h8-17H,1-7H3;8-17H,1-7H3
InChIKeyMGVDADNOCYYPGL-UHFFFAOYSA-N
XLogP18.89
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.77
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline with MolForge

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Related Compounds

benzylbenzene;2-[4-[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
CID 160450730
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
CID 157122679
4-[2-[4-[4,6-bis[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,1,1-trifluoropropan-2-yl]-N,N-diphenylaniline
CID 159877877
N,N-diphenyl-4-[1,1,1-trifluoro-2-[4-[4-phenyl-6-[4-[1,1,1-trifluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]aniline
CID 160480363
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylaniline
CID 23527761
4-[4-(4-butan-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenylaniline
CID 23527961
4-N-(4-bromophenyl)-2-N,4-N-bis(4-butan-2-ylphenyl)-2-N-(4-iodophenyl)-6-phenyl-1,3,5-triazine-2,4-diamine
CID 23557769
N,N-bis[4-[(E)-2-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]ethenyl]phenyl]-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 57983790
N-[4-[2-[4-[4,6-bis[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 58251528
N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 59779612
N,N-diphenyl-4-[4-[4-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
CID 59779620
4-tert-butyl-N-[4-[[4-[4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]methyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 68184266

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline?
The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline (CID 159562758) is 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline.
What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline?
The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline is Cc1c(Br)cc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)cc1Br.Cc1c(Br)cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1Br.
What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline?
The InChIKey is MGVDADNOCYYPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Br2N3.C27H31Br2N/c1-18-24(31)16-21(17-25(18)32)28-34-26(19-8-12-22(13-9-19)29(2,3)4)33-27(35-28)20-10-14-23(15-11-20)30(5,6)7;1-18-24(28)16-23(17-25(18)29)30(21-12-8-19(9-13-21)26(2,3)4)22-14-10-20(11-15-22)27(5,6)7/h8-17H,1-7H3;8-17H,1-7H3.
What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline?
2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline has a molecular weight of 1122.77 g/mol, XLogP of 18.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-tert-butylphenyl)-6-(3,5-dibromo-4-methylphenyl)-1,3,5-triazine;3,5-dibromo-N,N-bis(4-tert-butylphenyl)-4-methylaniline is sourced from PubChem (CID 159562758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).