2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C39H27N3O2 — CID 170230121

IUPAC2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2nc(C3=CCC(c4cccc5c4oc4ccccc45)c4oc5ccccc5c43)nc(-c3ccccc3)n2)=CCC1
InChIInChI=1S/C39H27N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-23-22-29(36-34(31)30-17-8-10-21-33(30)44-36)28-19-11-18-27-26-16-7-9-20-32(26)43-35(27)28/h1,3-5,7-21,23,29H,2,6,22H2
InChIKeyURGBCCGWFWJDPU-UHFFFAOYSA-N
MW569.66 g/mol
LogP9.88
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170230121) has the molecular formula C39H27N3O2 and a molecular weight of 569.66 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170230121
Molecular FormulaC39H27N3O2
Molecular Weight569.66 g/mol
Exact Mass569.21
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2nc(C3=CCC(c4cccc5c4oc4ccccc45)c4oc5ccccc5c43)nc(-c3ccccc3)n2)=CCC1
InChIInChI=1S/C39H27N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-23-22-29(36-34(31)30-17-8-10-21-33(30)44-36)28-19-11-18-27-26-16-7-9-20-32(26)43-35(27)28/h1,3-5,7-21,23,29H,2,6,22H2
InChIKeyURGBCCGWFWJDPU-UHFFFAOYSA-N
XLogP9.88
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.66
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)-3,4-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 167007289
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-cyclohexa-1,5-dien-1-yl-4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 168740292
2-cyclohexa-1,5-dien-1-yl-4-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164569004
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170145591
9-[8-[7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163688417
3-[6-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 155401241
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167183007
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-naphtho[2,3-b][1]benzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167008587
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
7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095099
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170230121) is 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is C1=CC(c2nc(C3=CCC(c4cccc5c4oc4ccccc45)c4oc5ccccc5c43)nc(-c3ccccc3)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is URGBCCGWFWJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3O2/c1-3-12-24(13-4-1)37-40-38(25-14-5-2-6-15-25)42-39(41-37)31-23-22-29(36-34(31)30-17-8-10-21-33(30)44-36)28-19-11-18-27-26-16-7-9-20-32(26)43-35(27)28/h1,3-5,7-21,23,29H,2,6,22H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 569.66 g/mol, XLogP of 9.88, 4 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-(4-dibenzofuran-4-yl-3,4-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170230121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).