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

C52H41N3OS — CID 166744328

IUPAC2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESCC1C=CC(c2cccc3oc4ccc(C5CC=Cc6sc7ccc(-c8ccccc8)cc7c65)cc4c23)=CC1c1nc(C2=CCCC=C2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C52H41N3OS/c1-32-23-24-37(30-41(32)52-54-50(34-15-7-3-8-16-34)53-51(55-52)35-17-9-4-10-18-35)39-19-11-21-45-48(39)42-31-38(25-27-44(42)56-45)40-20-12-22-47-49(40)43-29-36(26-28-46(43)57-47)33-13-5-2-6-14-33/h2-3,5-9,11-15,17-19,21-32,34,40-41H,4,10,16,20H2,1H3
InChIKeyPYYKQOBEIOLZBJ-UHFFFAOYSA-N
MW755.99 g/mol
LogP13.91
Rot. Bonds6

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

2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (PubChem CID 166744328) has the molecular formula C52H41N3OS and a molecular weight of 755.99 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
PubChem CID166744328
Molecular FormulaC52H41N3OS
Molecular Weight755.99 g/mol
Exact Mass755.30
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESCC1C=CC(c2cccc3oc4ccc(C5CC=Cc6sc7ccc(-c8ccccc8)cc7c65)cc4c23)=CC1c1nc(C2=CCCC=C2)nc(C2C=CC=CC2)n1
InChIInChI=1S/C52H41N3OS/c1-32-23-24-37(30-41(32)52-54-50(34-15-7-3-8-16-34)53-51(55-52)35-17-9-4-10-18-35)39-19-11-21-45-48(39)42-31-38(25-27-44(42)56-45)40-20-12-22-47-49(40)43-29-36(26-28-46(43)57-47)33-13-5-2-6-14-33/h2-3,5-9,11-15,17-19,21-32,34,40-41H,4,10,16,20H2,1H3
InChIKeyPYYKQOBEIOLZBJ-UHFFFAOYSA-N
XLogP13.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.99
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008294
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
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
2-cyclohexa-2,4-dien-1-yl-4-phenyl-6-[5-[6-(8-phenyldibenzothiophen-3-yl)dibenzofuran-1-yl]cyclohexa-1,5-dien-1-yl]-1,3,5-triazine
CID 166744488
2-(8-cyclohexa-2,4-dien-1-yldibenzofuran-1-yl)-4-phenyl-6-(8-phenyl-1,9b-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 163645476
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-(4a,8a-dihydronaphthalen-2-yl)-4-cyclohexa-2,4-dien-1-yl-6-(7-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167007710
4-cyclohexa-2,4-dien-1-yl-6-phenyl-2-(8-triphenylen-2-yldibenzofuran-1-yl)pyrimidine
CID 134198873
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
2-cyclohexa-2,4-dien-1-yl-4-[5-(6-naphthalen-2-yldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170424184
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[10-(9,9-dimethylfluoren-3-yl)naphtho[2,1-b][1]benzofuran-5-yl]-6-phenyl-1,3,5-triazine
CID 164707909
2-cyclohexa-2,4-dien-1-yl-4-(6-dibenzofuran-4-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167183078

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (CID 166744328) is 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is CC1C=CC(c2cccc3oc4ccc(C5CC=Cc6sc7ccc(-c8ccccc8)cc7c65)cc4c23)=CC1c1nc(C2=CCCC=C2)nc(C2C=CC=CC2)n1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The InChIKey is PYYKQOBEIOLZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N3OS/c1-32-23-24-37(30-41(32)52-54-50(34-15-7-3-8-16-34)53-51(55-52)35-17-9-4-10-18-35)39-19-11-21-45-48(39)42-31-38(25-27-44(42)56-45)40-20-12-22-47-49(40)43-29-36(26-28-46(43)57-47)33-13-5-2-6-14-33/h2-3,5-9,11-15,17-19,21-32,34,40-41H,4,10,16,20H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine has a molecular weight of 755.99 g/mol, XLogP of 13.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-4-cyclohexa-2,4-dien-1-yl-6-[6-methyl-3-[8-(8-phenyl-1,2-dihydrodibenzothiophen-1-yl)dibenzofuran-1-yl]cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166744328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).