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

C57H35N3OS — CID 134199430

IUPAC2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc5sc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)c2)cc1
InChIInChI=1S/C57H35N3OS/c1-3-15-36(16-4-1)38-19-11-20-39(33-38)40-21-12-22-41(34-40)42-31-32-51-48(35-42)54-47(27-14-30-52(54)62-51)57-59-55(37-17-5-2-6-18-37)58-56(60-57)45-24-8-7-23-43(45)44-26-13-29-50-53(44)46-25-9-10-28-49(46)61-50/h1-35H
InChIKeyFUASOSBANTWKHC-UHFFFAOYSA-N
MW809.99 g/mol
LogP15.81
Rot. Bonds7

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

2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 134199430) has the molecular formula C57H35N3OS and a molecular weight of 809.99 g/mol. Its IUPAC name is 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID134199430
Molecular FormulaC57H35N3OS
Molecular Weight809.99 g/mol
Exact Mass809.25
IUPAC Name2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc5sc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)c2)cc1
InChIInChI=1S/C57H35N3OS/c1-3-15-36(16-4-1)38-19-11-20-39(33-38)40-21-12-22-41(34-40)42-31-32-51-48(35-42)54-47(27-14-30-52(54)62-51)57-59-55(37-17-5-2-6-18-37)58-56(60-57)45-24-8-7-23-43(45)44-26-13-29-50-53(44)46-25-9-10-28-49(46)61-50/h1-35H
InChIKeyFUASOSBANTWKHC-UHFFFAOYSA-N
XLogP15.81
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.99
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-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

2-dibenzofuran-1-yl-4-phenyl-6-[5-(8-phenyldibenzothiophen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731840
2-dibenzofuran-1-yl-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946542
2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
2-[3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzothiazole
CID 147919210
9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 171411327
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 139548908
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[8-[3-(4-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-phenyl-6-[8-[2-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159756068
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
2-(3-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 166743455

Frequently Asked Questions

What is the IUPAC name of 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (CID 134199430) is 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4ccc5sc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8cccc9oc%10ccccc%10c89)n7)c6c5c4)c3)c2)cc1.
What is the InChIKey of 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is FUASOSBANTWKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3OS/c1-3-15-36(16-4-1)38-19-11-20-39(33-38)40-21-12-22-41(34-40)42-31-32-51-48(35-42)54-47(27-14-30-52(54)62-51)57-59-55(37-17-5-2-6-18-37)58-56(60-57)45-24-8-7-23-43(45)44-26-13-29-50-53(44)46-25-9-10-28-49(46)61-50/h1-35H.
What are the key properties of 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 809.99 g/mol, XLogP of 15.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dibenzofuran-1-ylphenyl)-4-phenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 134199430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).