6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine

C56H33N7O2 — CID 163388273

IUPAC6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6nc(-c7cccc8oc9ccccc9c78)c7[nH]c(-c8ccccc8-c8ccccc8)nc7n6)c5c4c3)n2)cc1
InChIInChI=1S/C56H33N7O2/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)54-58-50-49(40-25-14-28-45-47(40)39-24-12-13-27-43(39)64-45)57-55(63-56(50)62-54)41-26-15-29-46-48(41)42-32-36(30-31-44(42)65-46)53-60-51(34-18-6-2-7-19-34)59-52(61-53)35-20-8-3-9-21-35/h1-32H,(H,57,58,62,63)
InChIKeyPJXHXYWGTPSRDJ-UHFFFAOYSA-N
MW835.93 g/mol
LogP14.01
Rot. Bonds7

About 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine

6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine (PubChem CID 163388273) has the molecular formula C56H33N7O2 and a molecular weight of 835.93 g/mol. Its IUPAC name is 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine.

Molecular Properties

Compound Name6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine
PubChem CID163388273
Molecular FormulaC56H33N7O2
Molecular Weight835.93 g/mol
Exact Mass835.27
IUPAC Name6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6nc(-c7cccc8oc9ccccc9c78)c7[nH]c(-c8ccccc8-c8ccccc8)nc7n6)c5c4c3)n2)cc1
InChIInChI=1S/C56H33N7O2/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)54-58-50-49(40-25-14-28-45-47(40)39-24-12-13-27-43(39)64-45)57-55(63-56(50)62-54)41-26-15-29-46-48(41)42-32-36(30-31-44(42)65-46)53-60-51(34-18-6-2-7-19-34)59-52(61-53)35-20-8-3-9-21-35/h1-32H,(H,57,58,62,63)
InChIKeyPJXHXYWGTPSRDJ-UHFFFAOYSA-N
XLogP14.01
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.93
LogP ≤ 514.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine with MolForge

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Related Compounds

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 163701763
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2,4-bis(8-phenyldibenzofuran-1-yl)-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 163478028
2-dibenzofuran-1-yl-4-phenyl-6-[4-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198755
2-dibenzofuran-1-yl-4-(5-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731953
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742506
2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 134199075
2-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199084
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

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine?
The IUPAC name of 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine (CID 163388273) is 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine.
What is the SMILES notation for 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine?
The canonical SMILES for 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6nc(-c7cccc8oc9ccccc9c78)c7[nH]c(-c8ccccc8-c8ccccc8)nc7n6)c5c4c3)n2)cc1.
What is the InChIKey of 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine?
The InChIKey is PJXHXYWGTPSRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N7O2/c1-4-16-33(17-5-1)37-22-10-11-23-38(37)54-58-50-49(40-25-14-28-45-47(40)39-24-12-13-27-43(39)64-45)57-55(63-56(50)62-54)41-26-15-29-46-48(41)42-32-36(30-31-44(42)65-46)53-60-51(34-18-6-2-7-19-34)59-52(61-53)35-20-8-3-9-21-35/h1-32H,(H,57,58,62,63).
What are the key properties of 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine?
6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine has a molecular weight of 835.93 g/mol, XLogP of 14.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-1-yl-2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-8-(2-phenylphenyl)-7H-purine is sourced from PubChem (CID 163388273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).