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

C48H33N3O — CID 175828120

IUPAC4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccnnn4)c(-c4ccccc4)c4c(oc5ccccc54)c3-c3ccccc3-c3ccccc3)c1C)Cc1ccccc1-2
InChIInChI=1S/C48H33N3O/c1-29-27-38-35-21-10-9-19-33(35)28-39(38)42(30(29)2)47-44(36-22-12-11-20-34(36)31-15-5-3-6-16-31)48-45(37-23-13-14-24-41(37)52-48)43(32-17-7-4-8-18-32)46(47)40-25-26-49-51-50-40/h3-27H,28H2,1-2H3
InChIKeyLJALHYUXHFFQJI-UHFFFAOYSA-N
MW667.81 g/mol
LogP12.29
Rot. Bonds5

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

4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine (PubChem CID 175828120) has the molecular formula C48H33N3O and a molecular weight of 667.81 g/mol. Its IUPAC name is 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine.

Molecular Properties

Compound Name4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
PubChem CID175828120
Molecular FormulaC48H33N3O
Molecular Weight667.81 g/mol
Exact Mass667.26
IUPAC Name4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccnnn4)c(-c4ccccc4)c4c(oc5ccccc54)c3-c3ccccc3-c3ccccc3)c1C)Cc1ccccc1-2
InChIInChI=1S/C48H33N3O/c1-29-27-38-35-21-10-9-19-33(35)28-39(38)42(30(29)2)47-44(36-22-12-11-20-34(36)31-15-5-3-6-16-31)48-45(37-23-13-14-24-41(37)52-48)43(32-17-7-4-8-18-32)46(47)40-25-26-49-51-50-40/h3-27H,28H2,1-2H3
InChIKeyLJALHYUXHFFQJI-UHFFFAOYSA-N
XLogP12.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.81
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(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)-4-phenyl-3-(2-phenylphenyl)dibenzoselenophen-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 175869346
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
CID 166134012
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
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
4-[2,3-bis(2-phenylphenyl)dibenzofuran-1-yl]triazine
CID 175869417
4-[2-[3,4-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)-2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,4,5,6-tetradeuteriophenyl]-5,6-bis(1,2,2,3,3,4,4,5,5,6-decadeuteriocyclohexyl)triazine
CID 175869396

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine?
The IUPAC name of 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine (CID 175828120) is 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine.
What is the SMILES notation for 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine?
The canonical SMILES for 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine is Cc1cc2c(c(-c3c(-c4ccnnn4)c(-c4ccccc4)c4c(oc5ccccc54)c3-c3ccccc3-c3ccccc3)c1C)Cc1ccccc1-2.
What is the InChIKey of 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine?
The InChIKey is LJALHYUXHFFQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O/c1-29-27-38-35-21-10-9-19-33(35)28-39(38)42(30(29)2)47-44(36-22-12-11-20-34(36)31-15-5-3-6-16-31)48-45(37-23-13-14-24-41(37)52-48)43(32-17-7-4-8-18-32)46(47)40-25-26-49-51-50-40/h3-27H,28H2,1-2H3.
What are the key properties of 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine?
4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine has a molecular weight of 667.81 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine is sourced from PubChem (CID 175828120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).