2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine

C38H40Br2N4 — CID 129258718

IUPAC2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(Br)cc4)nc(-c4ccc(Br)cc4)n3)cn2)cc1
InChIInChI=1S/C38H40Br2N4/c1-2-3-4-5-6-7-8-9-10-11-12-28-13-15-29(16-14-28)35-26-21-32(27-41-35)38-43-36(30-17-22-33(39)23-18-30)42-37(44-38)31-19-24-34(40)25-20-31/h13-27H,2-12H2,1H3
InChIKeyDJZNQMWPDFBDPJ-UHFFFAOYSA-N
MW712.57 g/mol
LogP11.92
Rot. Bonds15

About 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine

2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine (PubChem CID 129258718) has the molecular formula C38H40Br2N4 and a molecular weight of 712.57 g/mol. Its IUPAC name is 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine
PubChem CID129258718
Molecular FormulaC38H40Br2N4
Molecular Weight712.57 g/mol
Exact Mass710.16
IUPAC Name2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine
SMILESCCCCCCCCCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(Br)cc4)nc(-c4ccc(Br)cc4)n3)cn2)cc1
InChIInChI=1S/C38H40Br2N4/c1-2-3-4-5-6-7-8-9-10-11-12-28-13-15-29(16-14-28)35-26-21-32(27-41-35)38-43-36(30-17-22-33(39)23-18-30)42-37(44-38)31-19-24-34(40)25-20-31/h13-27H,2-12H2,1H3
InChIKeyDJZNQMWPDFBDPJ-UHFFFAOYSA-N
XLogP11.92
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.57
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine 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

AS1535907
CID 10200069
2-(4-bromophenyl)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23650197
2-(4-bromophenyl)-6-methyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 57393997
7-Bromo-2,3-bis(4-methylphenyl)pyrido[2,3-b]pyrazine
CID 2544769
2-(2-bromophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]quinazolin-4-amine
CID 60167912
4-(4-Bromophenyl)-2-methylpyrimidine
CID 2819637
6-Bromo-2-(4-bromophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine
CID 46904886
4-(3-Bromophenyl)-6-pyridin-3-ylpyrimidine
CID 162644727
4-(4-Bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 162644833
4-(3-Bromophenyl)-6-pyridin-3-ylpyrimidin-2-amine
CID 162665489
N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
CID 3383705
N,5-dimethyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167889

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine (CID 129258718) is 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine is CCCCCCCCCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(Br)cc4)nc(-c4ccc(Br)cc4)n3)cn2)cc1.
What is the InChIKey of 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine?
The InChIKey is DJZNQMWPDFBDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40Br2N4/c1-2-3-4-5-6-7-8-9-10-11-12-28-13-15-29(16-14-28)35-26-21-32(27-41-35)38-43-36(30-17-22-33(39)23-18-30)42-37(44-38)31-19-24-34(40)25-20-31/h13-27H,2-12H2,1H3.
What are the key properties of 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine?
2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine has a molecular weight of 712.57 g/mol, XLogP of 11.92, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine is sourced from PubChem (CID 129258718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).