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

C63H41N3O — CID 164838374

IUPAC2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cc(-c7ccccc7)cc56)c4)n3)cc2)cc1
InChIInChI=1S/C63H41N3O/c1-6-18-42(19-7-1)46-32-34-48(35-33-46)61-64-62(66-63(65-61)54-38-51(43-20-8-2-9-21-43)37-52(39-54)44-22-10-3-11-23-44)50-29-16-28-49(36-50)55-30-17-31-56-58-41-53(45-24-12-4-13-25-45)40-57(60(58)67-59(55)56)47-26-14-5-15-27-47/h1-41H
InChIKeyGVIIUVMIBJTOBZ-UHFFFAOYSA-N
MW856.04 g/mol
LogP16.77
Rot. Bonds9

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

2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164838374) has the molecular formula C63H41N3O and a molecular weight of 856.04 g/mol. Its IUPAC name is 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID164838374
Molecular FormulaC63H41N3O
Molecular Weight856.04 g/mol
Exact Mass855.32
IUPAC Name2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cc(-c7ccccc7)cc56)c4)n3)cc2)cc1
InChIInChI=1S/C63H41N3O/c1-6-18-42(19-7-1)46-32-34-48(35-33-46)61-64-62(66-63(65-61)54-38-51(43-20-8-2-9-21-43)37-52(39-54)44-22-10-3-11-23-44)50-29-16-28-49(36-50)55-30-17-31-56-58-41-53(45-24-12-4-13-25-45)40-57(60(58)67-59(55)56)47-26-14-5-15-27-47/h1-41H
InChIKeyGVIIUVMIBJTOBZ-UHFFFAOYSA-N
XLogP16.77
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
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-4,6-bis[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 139549183
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-[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
2,4-diphenyl-6-[4-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834775
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 164797297
2-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817768
2-phenyl-4-[7-(4-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206765
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 164838374) is 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cc(-c7ccccc7)cc56)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is GVIIUVMIBJTOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N3O/c1-6-18-42(19-7-1)46-32-34-48(35-33-46)61-64-62(66-63(65-61)54-38-51(43-20-8-2-9-21-43)37-52(39-54)44-22-10-3-11-23-44)50-29-16-28-49(36-50)55-30-17-31-56-58-41-53(45-24-12-4-13-25-45)40-57(60(58)67-59(55)56)47-26-14-5-15-27-47/h1-41H.
What are the key properties of 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 856.04 g/mol, XLogP of 16.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164838374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).