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

C51H35N3O — CID 134199069

IUPAC2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccc8)c7)c6)cc5c34)n2)=CCC1
InChIInChI=1S/C51H35N3O/c1-5-15-34(16-6-1)38-23-13-24-39(29-38)42-30-41(35-17-7-2-8-18-35)31-43(32-42)40-27-28-46-45(33-40)48-44(25-14-26-47(48)55-46)51-53-49(36-19-9-3-10-20-36)52-50(54-51)37-21-11-4-12-22-37/h1-3,5-11,13-33H,4,12H2
InChIKeyXVIZBOFIFUIVOV-UHFFFAOYSA-N
MW705.86 g/mol
LogP13.51
Rot. Bonds7

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

2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 134199069) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID134199069
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccc8)c7)c6)cc5c34)n2)=CCC1
InChIInChI=1S/C51H35N3O/c1-5-15-34(16-6-1)38-23-13-24-39(29-38)42-30-41(35-17-7-2-8-18-35)31-43(32-42)40-27-28-46-45(33-40)48-44(25-14-26-47(48)55-46)51-53-49(36-19-9-3-10-20-36)52-50(54-51)37-21-11-4-12-22-37/h1-3,5-11,13-33H,4,12H2
InChIKeyXVIZBOFIFUIVOV-UHFFFAOYSA-N
XLogP13.51
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-(8-chlorodibenzofuran-1-yl)-4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 138618029
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 134199069) is 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is C1=CC(c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccc8)c7)c6)cc5c34)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is XVIZBOFIFUIVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c1-5-15-34(16-6-1)38-23-13-24-39(29-38)42-30-41(35-17-7-2-8-18-35)31-43(32-42)40-27-28-46-45(33-40)48-44(25-14-26-47(48)55-46)51-53-49(36-19-9-3-10-20-36)52-50(54-51)37-21-11-4-12-22-37/h1-3,5-11,13-33H,4,12H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 705.86 g/mol, XLogP of 13.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 134199069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).