2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine

C63H53N3 — CID 166891285

IUPAC2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
SMILESC1=CCCC(C2=CC(c3cccc(-c4cccc(C5C=C(c6nc(C7=CC=CCC7)nc(-c7ccccc7)n6)C=CC5)c4)c3)=C(c3ccccc3)C(C3=CCCC=C3)C2c2ccccc2)=C1
InChIInChI=1S/C63H53N3/c1-7-22-44(23-8-1)56-43-57(59(46-26-11-3-12-27-46)60(47-28-13-4-14-29-47)58(56)45-24-9-2-10-25-45)54-38-20-36-52(41-54)50-34-19-35-51(40-50)53-37-21-39-55(42-53)63-65-61(48-30-15-5-16-31-48)64-62(66-63)49-32-17-6-18-33-49/h1-3,5-7,9-13,15-17,19-22,24-32,34-36,38-43,53,58,60H,4,8,14,18,23,33,37H2
InChIKeyVADWTDSOSFBKJT-UHFFFAOYSA-N
MW852.14 g/mol
LogP15.87
Rot. Bonds10

About 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 166891285) has the molecular formula C63H53N3 and a molecular weight of 852.14 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID166891285
Molecular FormulaC63H53N3
Molecular Weight852.14 g/mol
Exact Mass851.42
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
SMILESC1=CCCC(C2=CC(c3cccc(-c4cccc(C5C=C(c6nc(C7=CC=CCC7)nc(-c7ccccc7)n6)C=CC5)c4)c3)=C(c3ccccc3)C(C3=CCCC=C3)C2c2ccccc2)=C1
InChIInChI=1S/C63H53N3/c1-7-22-44(23-8-1)56-43-57(59(46-26-11-3-12-27-46)60(47-28-13-4-14-29-47)58(56)45-24-9-2-10-25-45)54-38-20-36-52(41-54)50-34-19-35-51(40-50)53-37-21-39-55(42-53)63-65-61(48-30-15-5-16-31-48)64-62(66-63)49-32-17-6-18-33-49/h1-3,5-7,9-13,15-17,19-22,24-32,34-36,38-43,53,58,60H,4,8,14,18,23,33,37H2
InChIKeyVADWTDSOSFBKJT-UHFFFAOYSA-N
XLogP15.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.14
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-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-[3-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163689498
2-cyclohexa-1,3-dien-1-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 129171468
2-cyclohexa-1,3-dien-1-yl-4-cyclohexa-1,5-dien-1-yl-6-[3-[2-[2-[2-(2-methylphenyl)-3-propan-2-ylphenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 174316282
2-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 174012751
2-cyclohexa-1,3-dien-1-yl-4-[3-[8-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 130439927
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198719
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[3-(9-phenyl-9-pyridin-4-yl-7,8-dihydrofluoren-3-yl)phenyl]-1,3,5-triazine
CID 142385347
2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
2,4-bis(3-phenylcyclohexa-1,5-dien-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442756
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
4-(4-cyclohexa-1,5-dien-1-yl-6-methyl-1,3,5-triazin-2-yl)-N,N-dimethylaniline;[3-(4-cyclohexa-1,3-dien-1-yl-6-methyl-1,3,5-triazin-2-yl)phenyl]-dimethylphosphane;ethane
CID 153394351
2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 131966633

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine (CID 166891285) is 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine is C1=CCCC(C2=CC(c3cccc(-c4cccc(C5C=C(c6nc(C7=CC=CCC7)nc(-c7ccccc7)n6)C=CC5)c4)c3)=C(c3ccccc3)C(C3=CCCC=C3)C2c2ccccc2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is VADWTDSOSFBKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H53N3/c1-7-22-44(23-8-1)56-43-57(59(46-26-11-3-12-27-46)60(47-28-13-4-14-29-47)58(56)45-24-9-2-10-25-45)54-38-20-36-52(41-54)50-34-19-35-51(40-50)53-37-21-39-55(42-53)63-65-61(48-30-15-5-16-31-48)64-62(66-63)49-32-17-6-18-33-49/h1-3,5-7,9-13,15-17,19-22,24-32,34-36,38-43,53,58,60H,4,8,14,18,23,33,37H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 852.14 g/mol, XLogP of 15.87, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-[3-[3-[3-(5-cyclohexa-1,3-dien-1-yl-3-cyclohexa-1,5-dien-1-yl-2,4-diphenylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]cyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166891285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).