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

C54H37N3O — CID 166134319

IUPAC4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
SMILESCc1cc2c(c(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3O/c1-33-31-45-39-21-10-9-19-37(39)32-46(45)50(34(33)2)43-27-28-49-54(42-23-13-14-24-48(42)58-49)52(43)44-26-25-40(36-17-7-4-8-18-36)51(53(44)47-29-30-55-57-56-47)41-22-12-11-20-38(41)35-15-5-3-6-16-35/h3-31H,32H2,1-2H3
InChIKeySWBZZQDUBRUKFU-UHFFFAOYSA-N
MW743.91 g/mol
LogP13.96
Rot. Bonds6

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

4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine (PubChem CID 166134319) has the molecular formula C54H37N3O and a molecular weight of 743.91 g/mol. Its IUPAC name is 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine.

Molecular Properties

Compound Name4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
PubChem CID166134319
Molecular FormulaC54H37N3O
Molecular Weight743.91 g/mol
Exact Mass743.29
IUPAC Name4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
SMILESCc1cc2c(c(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3O/c1-33-31-45-39-21-10-9-19-37(39)32-46(45)50(34(33)2)43-27-28-49-54(42-23-13-14-24-48(42)58-49)52(43)44-26-25-40(36-17-7-4-8-18-36)51(53(44)47-29-30-55-57-56-47)41-22-12-11-20-38(41)35-15-5-3-6-16-35/h3-31H,32H2,1-2H3
InChIKeySWBZZQDUBRUKFU-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

4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 166134357
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-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310
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-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
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-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3,4,6-triphenyldibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 175810726
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-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
CID 166134012
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine
CID 175869417
4-[5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2,3,4,5-tetradeuterio-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]cyclohexa-1,3-dien-1-yl]triazine
CID 166134384

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine?
The IUPAC name of 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine (CID 166134319) is 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine.
What is the SMILES notation for 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine?
The canonical SMILES for 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine is Cc1cc2c(c(-c3ccc4oc5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2.
What is the InChIKey of 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine?
The InChIKey is SWBZZQDUBRUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O/c1-33-31-45-39-21-10-9-19-37(39)32-46(45)50(34(33)2)43-27-28-49-54(42-23-13-14-24-48(42)58-49)52(43)44-26-25-40(36-17-7-4-8-18-36)51(53(44)47-29-30-55-57-56-47)41-22-12-11-20-38(41)35-15-5-3-6-16-35/h3-31H,32H2,1-2H3.
What are the key properties of 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine?
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)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 4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine is sourced from PubChem (CID 166134319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).