2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine

C55H33N3OS — CID 177079205

IUPAC2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C55H33N3OS/c1-4-15-34(16-5-1)39-32-44(38-28-30-49-45(31-38)41-23-12-13-26-48(41)60-49)50(36-18-6-2-7-19-36)46(33-39)55-57-53(37-20-8-3-9-21-37)56-54(58-55)43-25-14-24-42-51-40-22-11-10-17-35(40)27-29-47(51)59-52(42)43/h1-33H
InChIKeyWJSTXGSQMQHUFW-UHFFFAOYSA-N
MW783.96 g/mol
LogP15.29
Rot. Bonds6

About 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine

2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine (PubChem CID 177079205) has the molecular formula C55H33N3OS and a molecular weight of 783.96 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
PubChem CID177079205
Molecular FormulaC55H33N3OS
Molecular Weight783.96 g/mol
Exact Mass783.23
IUPAC Name2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccc6ccccc6c45)n3)c2)cc1
InChIInChI=1S/C55H33N3OS/c1-4-15-34(16-5-1)39-32-44(38-28-30-49-45(31-38)41-23-12-13-26-48(41)60-49)50(36-18-6-2-7-19-36)46(33-39)55-57-53(37-20-8-3-9-21-37)56-54(58-55)43-25-14-24-42-51-40-22-11-10-17-35(40)27-29-47(51)59-52(42)43/h1-33H
InChIKeyWJSTXGSQMQHUFW-UHFFFAOYSA-N
XLogP15.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.96
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 148673756
2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170199717
2-(6-dibenzothiophen-2-yl-4-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 156574773
2-dibenzothiophen-2-yl-4-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742461
2-[4-(9-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 149154868
2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(3-phenyldibenzothiophen-1-yl)-1,3,5-triazine
CID 176831328
2-[10-(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167424108
2-(9-dibenzothiophen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 167007911
2-naphtho[1,2-b][1]benzofuran-8-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 170305304
2-phenyl-4-[8-(4-phenyldibenzothiophen-3-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744157
2-dibenzothiophen-2-yl-4-(4-phenanthren-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169278832
2-(3-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-10-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazine;2-(8-naphthalen-2-yldibenzothiophen-1-yl)-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine
CID 165055091

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine (CID 177079205) is 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccc6ccccc6c45)n3)c2)cc1.
What is the InChIKey of 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine?
The InChIKey is WJSTXGSQMQHUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3OS/c1-4-15-34(16-5-1)39-32-44(38-28-30-49-45(31-38)41-23-12-13-26-48(41)60-49)50(36-18-6-2-7-19-36)46(33-39)55-57-53(37-20-8-3-9-21-37)56-54(58-55)43-25-14-24-42-51-40-22-11-10-17-35(40)27-29-47(51)59-52(42)43/h1-33H.
What are the key properties of 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine?
2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine has a molecular weight of 783.96 g/mol, XLogP of 15.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-2-yl-2,5-diphenylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 177079205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).