2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine

C51H35N3S — CID 134198719

IUPAC2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccccc6-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5c34)n2)=C1
InChIInChI=1S/C51H35N3S/c1-4-14-34(15-5-1)35-26-28-36(29-27-35)39-20-12-21-40(32-39)42-22-10-11-23-43(42)41-30-31-46-45(33-41)48-44(24-13-25-47(48)55-46)51-53-49(37-16-6-2-7-17-37)52-50(54-51)38-18-8-3-9-19-38/h1-8,10-18,20-33H,9,19H2
InChIKeyGCMJSEUAFNCCGA-UHFFFAOYSA-N
MW721.93 g/mol
LogP13.97
Rot. Bonds7

About 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine

2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 134198719) has the molecular formula C51H35N3S and a molecular weight of 721.93 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID134198719
Molecular FormulaC51H35N3S
Molecular Weight721.93 g/mol
Exact Mass721.26
IUPAC Name2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESC1=CCCC(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccccc6-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5c34)n2)=C1
InChIInChI=1S/C51H35N3S/c1-4-14-34(15-5-1)35-26-28-36(29-27-35)39-20-12-21-40(32-39)42-22-10-11-23-43(42)41-30-31-46-45(33-41)48-44(24-13-25-47(48)55-46)51-53-49(37-16-6-2-7-17-37)52-50(54-51)38-18-8-3-9-19-38/h1-8,10-18,20-33H,9,19H2
InChIKeyGCMJSEUAFNCCGA-UHFFFAOYSA-N
XLogP13.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.93
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-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-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
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2,4-diphenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946773
2-(3-dibenzothiophen-3-ylphenyl)-4-phenyl-6-[8-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199446
2-[8-(3,4-diphenylphenyl)dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134198722
2-phenyl-4-(2-phenylphenyl)-6-[8-[3-(3-phenylphenyl)-2-[3-[2-phenyl-3-[4-phenyl-6-[8-[2-phenyl-3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155470904
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-cyclohexa-1,3-dien-1-yl-4-(2-dibenzofuran-3-yl-6-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170367958
2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199444
2-(3-cyclohexa-1,3-dien-1-yl-5-dibenzothiophen-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 145430347
2-dibenzofuran-4-yl-4-phenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134198584

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is C1=CCCC(c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccccc6-c6cccc(-c7ccc(-c8ccccc8)cc7)c6)cc5c34)n2)=C1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is GCMJSEUAFNCCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3S/c1-4-14-34(15-5-1)35-26-28-36(29-27-35)39-20-12-21-40(32-39)42-22-10-11-23-43(42)41-30-31-46-45(33-41)48-44(24-13-25-47(48)55-46)51-53-49(37-16-6-2-7-17-37)52-50(54-51)38-18-8-3-9-19-38/h1-8,10-18,20-33H,9,19H2.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 721.93 g/mol, XLogP of 13.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-4-phenyl-6-[8-[2-[3-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 134198719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).