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

C57H35N3O2 — CID 163701763

IUPAC2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccc(-c%10ccccc%10)cc9c78)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-14-36(15-5-1)38-26-28-39(29-27-38)43-20-10-11-21-44(43)42-31-33-50-48(35-42)54-46(23-13-25-52(54)62-50)57-59-55(40-18-8-3-9-19-40)58-56(60-57)45-22-12-24-51-53(45)47-34-41(30-32-49(47)61-51)37-16-6-2-7-17-37/h1-35H
InChIKeyKBPSONPHJLILQV-UHFFFAOYSA-N
MW793.93 g/mol
LogP15.34
Rot. Bonds7

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

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 163701763) has the molecular formula C57H35N3O2 and a molecular weight of 793.93 g/mol. Its IUPAC name is 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID163701763
Molecular FormulaC57H35N3O2
Molecular Weight793.93 g/mol
Exact Mass793.27
IUPAC Name2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccc(-c%10ccccc%10)cc9c78)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-14-36(15-5-1)38-26-28-39(29-27-38)43-20-10-11-21-44(43)42-31-33-50-48(35-42)54-46(23-13-25-52(54)62-50)57-59-55(40-18-8-3-9-19-40)58-56(60-57)45-22-12-24-51-53(45)47-34-41(30-32-49(47)61-51)37-16-6-2-7-17-37/h1-35H
InChIKeyKBPSONPHJLILQV-UHFFFAOYSA-N
XLogP15.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2-phenyl-4-(3-phenylphenyl)-6-[8-[2-phenyl-4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946253
2-[8-(2,5-diphenylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 134199075
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
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-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
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-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 163701763) is 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc8oc9ccc(-c%10ccccc%10)cc9c78)n6)c5c4c3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is KBPSONPHJLILQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2/c1-4-14-36(15-5-1)38-26-28-39(29-27-38)43-20-10-11-21-44(43)42-31-33-50-48(35-42)54-46(23-13-25-52(54)62-50)57-59-55(40-18-8-3-9-19-40)58-56(60-57)45-22-12-24-51-53(45)47-34-41(30-32-49(47)61-51)37-16-6-2-7-17-37/h1-35H.
What are the key properties of 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 793.93 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-[8-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 163701763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).