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

C51H33N3O2 — CID 145448035

IUPAC2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5oc6ccc(-c7ccc(-c8ccccc8)cc7)cc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)=CCC1
InChIInChI=1S/C51H33N3O2/c1-3-11-32(12-4-1)33-21-23-34(24-22-33)38-29-30-45-43(31-38)47-39(16-10-20-46(47)55-45)35-25-27-37(28-26-35)50-52-49(36-13-5-2-6-14-36)53-51(54-50)42-18-9-17-41-40-15-7-8-19-44(40)56-48(41)42/h1,3-5,7-31H,2,6H2
InChIKeyVTFOOSFXWRQGEY-UHFFFAOYSA-N
MW719.84 g/mol
LogP13.74
Rot. Bonds6

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

2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine (PubChem CID 145448035) has the molecular formula C51H33N3O2 and a molecular weight of 719.84 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
PubChem CID145448035
Molecular FormulaC51H33N3O2
Molecular Weight719.84 g/mol
Exact Mass719.26
IUPAC Name2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
SMILESC1=CC(c2nc(-c3ccc(-c4cccc5oc6ccc(-c7ccc(-c8ccccc8)cc7)cc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)=CCC1
InChIInChI=1S/C51H33N3O2/c1-3-11-32(12-4-1)33-21-23-34(24-22-33)38-29-30-45-43(31-38)47-39(16-10-20-46(47)55-45)35-25-27-37(28-26-35)50-52-49(36-13-5-2-6-14-36)53-51(54-50)42-18-9-17-41-40-15-7-8-19-44(40)56-48(41)42/h1,3-5,7-31H,2,6H2
InChIKeyVTFOOSFXWRQGEY-UHFFFAOYSA-N
XLogP13.74
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.84
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-cyclohexa-1,5-dien-1-yl-4-(8-methyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 134198548
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-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198762
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 163821422
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156558260

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 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) is 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine is C1=CC(c2nc(-c3ccc(-c4cccc5oc6ccc(-c7ccc(-c8ccccc8)cc7)cc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)=CCC1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is VTFOOSFXWRQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O2/c1-3-11-32(12-4-1)33-21-23-34(24-22-33)38-29-30-45-43(31-38)47-39(16-10-20-46(47)55-45)35-25-27-37(28-26-35)50-52-49(36-13-5-2-6-14-36)53-51(54-50)42-18-9-17-41-40-15-7-8-19-44(40)56-48(41)42/h1,3-5,7-31H,2,6H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine?
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 719.84 g/mol, XLogP of 13.74, 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-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 145448035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).