2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine

C55H35N5S — CID 171761000

IUPAC2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccnc4)cc(-c4cccc5c4sc4c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)c3)cn2)cc1
InChIInChI=1S/C55H35N5S/c1-4-13-37(14-5-1)50-29-28-42(35-57-50)44-31-43(41-19-12-30-56-34-41)32-45(33-44)47-21-11-23-49-48-22-10-20-46(51(48)61-52(47)49)36-24-26-40(27-25-36)55-59-53(38-15-6-2-7-16-38)58-54(60-55)39-17-8-3-9-18-39/h1-35H
InChIKeyJTUKPMSXYYPXKM-UHFFFAOYSA-N
MW797.99 g/mol
LogP14.37
Rot. Bonds8

About 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine (PubChem CID 171761000) has the molecular formula C55H35N5S and a molecular weight of 797.99 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
PubChem CID171761000
Molecular FormulaC55H35N5S
Molecular Weight797.99 g/mol
Exact Mass797.26
IUPAC Name2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccnc4)cc(-c4cccc5c4sc4c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)c3)cn2)cc1
InChIInChI=1S/C55H35N5S/c1-4-13-37(14-5-1)50-29-28-42(35-57-50)44-31-43(41-19-12-30-56-34-41)32-45(33-44)47-21-11-23-49-48-22-10-20-46(51(48)61-52(47)49)36-24-26-40(27-25-36)55-59-53(38-15-6-2-7-16-38)58-54(60-55)39-17-8-3-9-18-39/h1-35H
InChIKeyJTUKPMSXYYPXKM-UHFFFAOYSA-N
XLogP14.37
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.99
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
CID 171760978
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261995
4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263534
2-phenyl-4-(4-phenylphenyl)-6-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 134380944
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465763
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380728
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(6-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]-1,3,5-triazine
CID 134380773
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
4-[3-dibenzothiophen-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583509
2,4-diphenyl-6-[3-phenyl-5-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-phenyl-5-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine;3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 159392802
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-4-pyridinyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine;2-phenyl-4,6-bis[3-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]phenyl]pyridine
CID 159365792

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine (CID 171761000) is 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4cccnc4)cc(-c4cccc5c4sc4c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cccc45)c3)cn2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine?
The InChIKey is JTUKPMSXYYPXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5S/c1-4-13-37(14-5-1)50-29-28-42(35-57-50)44-31-43(41-19-12-30-56-34-41)32-45(33-44)47-21-11-23-49-48-22-10-20-46(51(48)61-52(47)49)36-24-26-40(27-25-36)55-59-53(38-15-6-2-7-16-38)58-54(60-55)39-17-8-3-9-18-39/h1-35H.
What are the key properties of 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine has a molecular weight of 797.99 g/mol, XLogP of 14.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 171761000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).