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

C54H37N3O — CID 166133942

IUPAC4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
SMILESCc1c(C)c(-c2ccccc2)c2c(c1-c1c(-c3ccccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)ccc3oc4ccccc4c13)Cc1ccccc1-2
InChIInChI=1S/C54H37N3O/c1-33-34(2)48(44-32-38-24-12-13-25-39(38)50(44)47(33)35-18-6-3-7-19-35)52-41(30-31-46-51(52)43-28-16-17-29-45(43)58-46)40-26-14-15-27-42(40)54-49(36-20-8-4-9-21-36)53(55-57-56-54)37-22-10-5-11-23-37/h3-31H,32H2,1-2H3
InChIKeyVWJPBFPQOYNKAB-UHFFFAOYSA-N
MW743.91 g/mol
LogP13.96
Rot. Bonds6

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

4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine (PubChem CID 166133942) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine.

Molecular Properties

Compound Name4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
PubChem CID166133942
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
SMILESCc1c(C)c(-c2ccccc2)c2c(c1-c1c(-c3ccccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)ccc3oc4ccccc4c13)Cc1ccccc1-2
InChIInChI=1S/C54H37N3O/c1-33-34(2)48(44-32-38-24-12-13-25-39(38)50(44)47(33)35-18-6-3-7-19-35)52-41(30-31-46-51(52)43-28-16-17-29-45(43)58-46)40-26-14-15-27-42(40)54-49(36-20-8-4-9-21-36)53(55-57-56-54)37-22-10-5-11-23-37/h3-31H,32H2,1-2H3
InChIKeyVWJPBFPQOYNKAB-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

Analyze 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine with MolForge

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Related Compounds

5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine
CID 166133546
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
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-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
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)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 166134319
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine?
The IUPAC name of 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine (CID 166133942) is 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine.
What is the SMILES notation for 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine?
The canonical SMILES for 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine is Cc1c(C)c(-c2ccccc2)c2c(c1-c1c(-c3ccccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)ccc3oc4ccccc4c13)Cc1ccccc1-2.
What is the InChIKey of 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine?
The InChIKey is VWJPBFPQOYNKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-33-34(2)48(44-32-38-24-12-13-25-39(38)50(44)47(33)35-18-6-3-7-19-35)52-41(30-31-46-51(52)43-28-16-17-29-45(43)58-46)40-26-14-15-27-42(40)54-49(36-20-8-4-9-21-36)53(55-57-56-54)37-22-10-5-11-23-37/h3-31H,32H2,1-2H3.
What are the key properties of 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine?
4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine 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 4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine is sourced from PubChem (CID 166133942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).