2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine

C27H22BrN3 — CID 137385119

IUPAC2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\C(=C/Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1cccc(Br)c1
InChIInChI=1S/C27H22BrN3/c1-2-10-20(23-15-9-16-24(28)19-23)17-18-25-29-26(21-11-5-3-6-12-21)31-27(30-25)22-13-7-4-8-14-22/h2-17,19H,18H2,1H3/b10-2-,20-17+
InChIKeyYRRSAJJWGCVXIM-MCLPZSFYSA-N
MW468.40 g/mol
LogP7.17
Rot. Bonds6

About 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine

2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 137385119) has the molecular formula C27H22BrN3 and a molecular weight of 468.40 g/mol. Its IUPAC name is 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID137385119
Molecular FormulaC27H22BrN3
Molecular Weight468.40 g/mol
Exact Mass467.10
IUPAC Name2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine
SMILESC/C=C\C(=C/Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1cccc(Br)c1
InChIInChI=1S/C27H22BrN3/c1-2-10-20(23-15-9-16-24(28)19-23)17-18-25-29-26(21-11-5-3-6-12-21)31-27(30-25)22-13-7-4-8-14-22/h2-17,19H,18H2,1H3/b10-2-,20-17+
InChIKeyYRRSAJJWGCVXIM-MCLPZSFYSA-N
XLogP7.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.40
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-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

2-(4-bromophenyl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine;ethane
CID 145257402
ethane;2-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;propane
CID 145452765
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;propane;prop-1-ene
CID 145452849
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-[4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121257999
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine
CID 144875855
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 143444775

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine (CID 137385119) is 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine is C/C=C\C(=C/Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)c1cccc(Br)c1.
What is the InChIKey of 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is YRRSAJJWGCVXIM-MCLPZSFYSA-N. The full InChI is InChI=1S/C27H22BrN3/c1-2-10-20(23-15-9-16-24(28)19-23)17-18-25-29-26(21-11-5-3-6-12-21)31-27(30-25)22-13-7-4-8-14-22/h2-17,19H,18H2,1H3/b10-2-,20-17+.
What are the key properties of 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine?
2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 468.40 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-3-(3-bromophenyl)hexa-2,4-dienyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 137385119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).