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

C54H37N3O — CID 166134822

IUPAC5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3c(-c4ccccc4)cccc3-c3c(-c4ccccc4)ccc4oc5ccccc5c34)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3O/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)50-40(35-17-6-3-7-18-35)26-16-27-43(50)49-41(36-19-8-4-9-20-36)29-30-47-51(49)42-25-14-15-28-46(42)58-47/h3-31H,32H2,1-2H3
InChIKeyBZAIHCGDGKCMGS-UHFFFAOYSA-N
MW743.91 g/mol
LogP13.96
Rot. Bonds6

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

5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine (PubChem CID 166134822) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine.

Molecular Properties

Compound Name5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
PubChem CID166134822
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3c(-c4ccccc4)cccc3-c3c(-c4ccccc4)ccc4oc5ccccc5c34)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3O/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)50-40(35-17-6-3-7-18-35)26-16-27-43(50)49-41(36-19-8-4-9-20-36)29-30-47-51(49)42-25-14-15-28-46(42)58-47/h3-31H,32H2,1-2H3
InChIKeyBZAIHCGDGKCMGS-UHFFFAOYSA-N
XLogP13.96
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 166134319
4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 166134357
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,5,6-triphenylphenyl]triazine
CID 166133716
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-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166134087
4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
CID 166133942
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
CID 166134177
4,5-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-6-[2,3,4,5-tetradeuterio-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]phenyl]triazine
CID 172770527
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
2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole
CID 166133765

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine?
The IUPAC name of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine (CID 166134822) is 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine.
What is the SMILES notation for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine?
The canonical SMILES for 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine is Cc1cc2c(c(-c3c(-c4ccccc4)nnnc3-c3c(-c4ccccc4)cccc3-c3c(-c4ccccc4)ccc4oc5ccccc5c34)c1C)Cc1ccccc1-2.
What is the InChIKey of 5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine?
The InChIKey is BZAIHCGDGKCMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/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)50-40(35-17-6-3-7-18-35)26-16-27-43(50)49-41(36-19-8-4-9-20-36)29-30-47-51(49)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-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine?
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine has a molecular weight of 743.91 g/mol, XLogP of 13.96, 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-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine is sourced from PubChem (CID 166134822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).