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

C63H45N3O — CID 166134357

IUPAC4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
SMILESCc1cc2c(c(-c3cc4oc5ccccc5c4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4-c4ccnnn4)c3-c3c(C)c(C)cc4c3Cc3ccccc3-4)c1C)Cc1ccccc1-2
InChIInChI=1S/C63H45N3O/c1-36-31-49-44-23-13-11-21-42(44)33-51(49)57(38(36)3)53-35-56-61(47-25-15-16-26-55(47)67-56)62(63(53)58-39(4)37(2)32-50-45-24-14-12-22-43(45)34-52(50)58)48-28-27-46(40-17-7-5-8-18-40)59(41-19-9-6-10-20-41)60(48)54-29-30-64-66-65-54/h5-32,35H,33-34H2,1-4H3
InChIKeyKNRVITOLKYTBRU-UHFFFAOYSA-N
MW860.07 g/mol
LogP16.15
Rot. Bonds6

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

4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine (PubChem CID 166134357) has the molecular formula C63H45N3O and a molecular weight of 860.07 g/mol. Its IUPAC name is 4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine.

Molecular Properties

Compound Name4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
PubChem CID166134357
Molecular FormulaC63H45N3O
Molecular Weight860.07 g/mol
Exact Mass859.36
IUPAC Name4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
SMILESCc1cc2c(c(-c3cc4oc5ccccc5c4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4-c4ccnnn4)c3-c3c(C)c(C)cc4c3Cc3ccccc3-4)c1C)Cc1ccccc1-2
InChIInChI=1S/C63H45N3O/c1-36-31-49-44-23-13-11-21-42(44)33-51(49)57(38(36)3)53-35-56-61(47-25-15-16-26-55(47)67-56)62(63(53)58-39(4)37(2)32-50-45-24-14-12-22-43(45)34-52(50)58)48-28-27-46(40-17-7-5-8-18-40)59(41-19-9-6-10-20-41)60(48)54-29-30-64-66-65-54/h5-32,35H,33-34H2,1-4H3
InChIKeyKNRVITOLKYTBRU-UHFFFAOYSA-N
XLogP16.15
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.07
LogP ≤ 516.15
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-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,5,6-triphenylphenyl]triazine
CID 166133716
4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 175828120
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3,4,6-triphenyldibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 175810726
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-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310
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-(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-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine?
The IUPAC name of 4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine (CID 166134357) is 4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine.
What is the SMILES notation for 4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine?
The canonical SMILES for 4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine is Cc1cc2c(c(-c3cc4oc5ccccc5c4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4-c4ccnnn4)c3-c3c(C)c(C)cc4c3Cc3ccccc3-4)c1C)Cc1ccccc1-2.
What is the InChIKey of 4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine?
The InChIKey is KNRVITOLKYTBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H45N3O/c1-36-31-49-44-23-13-11-21-42(44)33-51(49)57(38(36)3)53-35-56-61(47-25-15-16-26-55(47)67-56)62(63(53)58-39(4)37(2)32-50-45-24-14-12-22-43(45)34-52(50)58)48-28-27-46(40-17-7-5-8-18-40)59(41-19-9-6-10-20-41)60(48)54-29-30-64-66-65-54/h5-32,35H,33-34H2,1-4H3.
What are the key properties of 4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine?
4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine has a molecular weight of 860.07 g/mol, XLogP of 16.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine is sourced from PubChem (CID 166134357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).