4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine

C54H37N3S — CID 166134012

IUPAC4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccccc4)cc4sc5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3S/c1-33-30-44-39-23-13-12-22-38(39)31-45(44)49(34(33)2)54-43(36-18-8-4-9-19-36)32-48-52(41-24-14-15-25-47(41)58-48)53(54)42-27-26-40(35-16-6-3-7-17-35)50(37-20-10-5-11-21-37)51(42)46-28-29-55-57-56-46/h3-30,32H,31H2,1-2H3
InChIKeyXJRBRIPBUHFFAU-UHFFFAOYSA-N
MW759.98 g/mol
LogP14.43
Rot. Bonds6

About 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine

4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine (PubChem CID 166134012) has the molecular formula C54H37N3S and a molecular weight of 759.98 g/mol. Its IUPAC name is 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine.

Molecular Properties

Compound Name4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
PubChem CID166134012
Molecular FormulaC54H37N3S
Molecular Weight759.98 g/mol
Exact Mass759.27
IUPAC Name4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccccc4)cc4sc5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3S/c1-33-30-44-39-23-13-12-22-38(39)31-45(44)49(34(33)2)54-43(36-18-8-4-9-19-36)32-48-52(41-24-14-15-25-47(41)58-48)53(54)42-27-26-40(35-16-6-3-7-17-35)50(37-20-10-5-11-21-37)51(42)46-28-29-55-57-56-46/h3-30,32H,31H2,1-2H3
InChIKeyXJRBRIPBUHFFAU-UHFFFAOYSA-N
XLogP14.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.98
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]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

4-[2-(2,3-dimethyl-9H-fluoren-1-yl)-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzothiophen-1-yl]-3-phenylphenyl]triazine
CID 166134982
4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 166134357
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3,4,6-triphenyldibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 175810726
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-3-(2-phenylphenyl)dibenzoselenophen-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 175869346
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,5,6-triphenylphenyl]triazine
CID 166133716
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 166134319
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166134087
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 175828120
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine?
The IUPAC name of 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine (CID 166134012) is 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine.
What is the SMILES notation for 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine?
The canonical SMILES for 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine is Cc1cc2c(c(-c3c(-c4ccccc4)cc4sc5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2.
What is the InChIKey of 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine?
The InChIKey is XJRBRIPBUHFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3S/c1-33-30-44-39-23-13-12-22-38(39)31-45(44)49(34(33)2)54-43(36-18-8-4-9-19-36)32-48-52(41-24-14-15-25-47(41)58-48)53(54)42-27-26-40(35-16-6-3-7-17-35)50(37-20-10-5-11-21-37)51(42)46-28-29-55-57-56-46/h3-30,32H,31H2,1-2H3.
What are the key properties of 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine?
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine has a molecular weight of 759.98 g/mol, XLogP of 14.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine is sourced from PubChem (CID 166134012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).