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

C57H35N3O2 — CID 139549183

IUPAC2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)n2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-16-36(17-5-1)43-26-12-30-47-49-32-14-28-45(53(49)61-51(43)47)39-22-10-24-41(34-39)56-58-55(38-20-8-3-9-21-38)59-57(60-56)42-25-11-23-40(35-42)46-29-15-33-50-48-31-13-27-44(52(48)62-54(46)50)37-18-6-2-7-19-37/h1-35H
InChIKeyARLNASJKIWRBAQ-UHFFFAOYSA-N
MW793.93 g/mol
LogP15.34
Rot. Bonds7

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

2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine (PubChem CID 139549183) has the molecular formula C57H35N3O2 and a molecular weight of 793.93 g/mol. Its IUPAC name is 2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
PubChem CID139549183
Molecular FormulaC57H35N3O2
Molecular Weight793.93 g/mol
Exact Mass793.27
IUPAC Name2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)n2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-16-36(17-5-1)43-26-12-30-47-49-32-14-28-45(53(49)61-51(43)47)39-22-10-24-41(34-39)56-58-55(38-20-8-3-9-21-38)59-57(60-56)42-25-11-23-40(35-42)46-29-15-33-50-48-31-13-27-44(52(48)62-54(46)50)37-18-6-2-7-19-37/h1-35H
InChIKeyARLNASJKIWRBAQ-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

2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-1,3,5-triazine
CID 164835357
2,4-diphenyl-6-[6-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 171414948
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164838374
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2,4-diphenyl-6-[3-phenyl-5-[6-(4-phenylphenyl)-1-[3-[4-phenyl-6-[4-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 163937678
2,4-diphenyl-6-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 176818567
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 154613908
2-dibenzofuran-4-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723720
2-[3-[18-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-5-yl]phenyl]-4,6-diphenylpyrimidine
CID 59147414

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine (CID 139549183) is 2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)nc(-c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)n2)cc1.
What is the InChIKey of 2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is ARLNASJKIWRBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2/c1-4-16-36(17-5-1)43-26-12-30-47-49-32-14-28-45(53(49)61-51(43)47)39-22-10-24-41(34-39)56-58-55(38-20-8-3-9-21-38)59-57(60-56)42-25-11-23-40(35-42)46-29-15-33-50-48-31-13-27-44(52(48)62-54(46)50)37-18-6-2-7-19-37/h1-35H.
What are the key properties of 2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine?
2-phenyl-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-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-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 139549183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).