2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine

C58H37N3S — CID 167403516

IUPAC2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3-c3ccc4c(c3)sc3c5c(ccc34)C(c3ccccc3)c3ccccc3-5)n2)cc1
InChIInChI=1S/C58H37N3S/c1-5-17-37(18-6-1)43-25-13-14-26-44(43)41-29-31-45(51(35-41)58-60-56(39-21-9-3-10-22-39)59-57(61-58)40-23-11-4-12-24-40)42-30-32-46-49-33-34-50-53(38-19-7-2-8-20-38)47-27-15-16-28-48(47)54(50)55(49)62-52(46)36-42/h1-36,53H
InChIKeyMUJQKPZRUDLVBV-UHFFFAOYSA-N
MW808.02 g/mol
LogP15.40
Rot. Bonds7

About 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167403516) has the molecular formula C58H37N3S and a molecular weight of 808.02 g/mol. Its IUPAC name is 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID167403516
Molecular FormulaC58H37N3S
Molecular Weight808.02 g/mol
Exact Mass807.27
IUPAC Name2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3-c3ccc4c(c3)sc3c5c(ccc34)C(c3ccccc3)c3ccccc3-5)n2)cc1
InChIInChI=1S/C58H37N3S/c1-5-17-37(18-6-1)43-25-13-14-26-44(43)41-29-31-45(51(35-41)58-60-56(39-21-9-3-10-22-39)59-57(61-58)40-23-11-4-12-24-40)42-30-32-46-49-33-34-50-53(38-19-7-2-8-20-38)47-27-15-16-28-48(47)54(50)55(49)62-52(46)36-42/h1-36,53H
InChIKeyMUJQKPZRUDLVBV-UHFFFAOYSA-N
XLogP15.40
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.02
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)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

2-[7-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146520081
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 146669978
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2,4-diphenyl-6-[6-(4-phenyldibenzothiophen-2-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199172
2-dibenzothiophen-4-yl-4-[4-[4-[4-[3-[4-dibenzothiophen-4-yl-6-[4-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]-2-phenylphenyl]phenyl]naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 139442123
2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155115035
2-[4-(6-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377434
2,4-diphenyl-6-[7-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170378405
2-chloro-4-phenyl-6-[3-(2-phenylphenyl)naphtho[2,3-b][1]benzothiol-6-yl]-1,3,5-triazine
CID 155096755
2-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118553019

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine (CID 167403516) is 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4-c4ccccc4)ccc3-c3ccc4c(c3)sc3c5c(ccc34)C(c3ccccc3)c3ccccc3-5)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is MUJQKPZRUDLVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S/c1-5-17-37(18-6-1)43-25-13-14-26-44(43)41-29-31-45(51(35-41)58-60-56(39-21-9-3-10-22-39)59-57(61-58)40-23-11-4-12-24-40)42-30-32-46-49-33-34-50-53(38-19-7-2-8-20-38)47-27-15-16-28-48(47)54(50)55(49)62-52(46)36-42/h1-36,53H.
What are the key properties of 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 808.02 g/mol, XLogP of 15.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167403516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).