5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine

C54H37N3S — CID 166134723

IUPAC5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3cccc(-c4ccccc4)c3-c3c(-c4ccccc4)ccc4sc5ccccc5c34)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3S/c1-33-31-44-39-24-13-12-23-38(39)32-45(44)48(34(33)2)52-53(37-21-10-5-11-22-37)55-57-56-54(52)43-27-16-26-40(35-17-6-3-7-18-35)49(43)51-41(36-19-8-4-9-20-36)29-30-47-50(51)42-25-14-15-28-46(42)58-47/h3-31H,32H2,1-2H3
InChIKeyGLFHEDNIQHRWLP-UHFFFAOYSA-N
MW759.98 g/mol
LogP14.43
Rot. Bonds6

About 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine

5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine (PubChem CID 166134723) has the molecular formula C54H37N3S and a molecular weight of 759.98 g/mol. Its IUPAC name is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine.

Molecular Properties

Compound Name5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
PubChem CID166134723
Molecular FormulaC54H37N3S
Molecular Weight759.98 g/mol
Exact Mass759.27
IUPAC Name5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3cccc(-c4ccccc4)c3-c3c(-c4ccccc4)ccc4sc5ccccc5c34)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3S/c1-33-31-44-39-24-13-12-23-38(39)32-45(44)48(34(33)2)52-53(37-21-10-5-11-22-37)55-57-56-54(52)43-27-16-26-40(35-17-6-3-7-18-35)49(43)51-41(36-19-8-4-9-20-36)29-30-47-50(51)42-25-14-15-28-46(42)58-47/h3-31H,32H2,1-2H3
InChIKeyGLFHEDNIQHRWLP-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

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Related Compounds

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-(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-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
CID 166134177
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134551
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
CID 166134012
4-phenyl-5-(2-phenylphenyl)-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 172700237
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-benzoselenophen-2-yl]phenyl]-6-phenyltriazine
CID 166133641
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-(3-phenyl-1-benzoselenophen-2-yl)-6-(2-phenylphenyl)triazine
CID 166134239
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine?
The IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine (CID 166134723) is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine.
What is the SMILES notation for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine?
The canonical SMILES for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine is Cc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3cccc(-c4ccccc4)c3-c3c(-c4ccccc4)ccc4sc5ccccc5c34)c1C)Cc1ccccc1-2.
What is the InChIKey of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine?
The InChIKey is GLFHEDNIQHRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3S/c1-33-31-44-39-24-13-12-23-38(39)32-45(44)48(34(33)2)52-53(37-21-10-5-11-22-37)55-57-56-54(52)43-27-16-26-40(35-17-6-3-7-18-35)49(43)51-41(36-19-8-4-9-20-36)29-30-47-50(51)42-25-14-15-28-46(42)58-47/h3-31H,32H2,1-2H3.
What are the key properties of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine?
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]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 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine is sourced from PubChem (CID 166134723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).