9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole

C59H40N4O — CID 155232239

IUPAC9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C59H40N4O/c1-37-13-11-19-41(31-37)43-23-27-52-48(33-43)49-34-44(42-20-12-14-38(2)32-42)24-28-53(49)63(52)54-29-25-45(46-26-30-56-50(35-46)47-21-9-10-22-55(47)64-56)36-51(54)59-61-57(39-15-5-3-6-16-39)60-58(62-59)40-17-7-4-8-18-40/h3-36H,1-2H3
InChIKeyOKEJMSCUJJPTBT-UHFFFAOYSA-N
MW821.00 g/mol
LogP15.49
Rot. Bonds7

About 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole

9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole (PubChem CID 155232239) has the molecular formula C59H40N4O and a molecular weight of 821.00 g/mol. Its IUPAC name is 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
PubChem CID155232239
Molecular FormulaC59H40N4O
Molecular Weight821.00 g/mol
Exact Mass820.32
IUPAC Name9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole
SMILESCc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C59H40N4O/c1-37-13-11-19-41(31-37)43-23-27-52-48(33-43)49-34-44(42-20-12-14-38(2)32-42)24-28-53(49)63(52)54-29-25-45(46-26-30-56-50(35-46)47-21-9-10-22-55(47)64-56)36-51(54)59-61-57(39-15-5-3-6-16-39)60-58(62-59)40-17-7-4-8-18-40/h3-36H,1-2H3
InChIKeyOKEJMSCUJJPTBT-UHFFFAOYSA-N
XLogP15.49
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.00
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylcarbazole
CID 159575146
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-dimethylcarbazole
CID 142577027
9-[4-[4-dibenzofuran-2-yl-6-(4-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-3,6-diphenylcarbazole
CID 146414244
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)carbazole
CID 155232494
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155628013
9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 155233215
3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155232876
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 155232440
3-dibenzofuran-2-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164956340
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2-methylphenyl)carbazole
CID 155232861
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3,5-dimethylphenyl)carbazole
CID 137414558
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 159203970

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole?
The IUPAC name of 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole (CID 155232239) is 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole.
What is the SMILES notation for 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole?
The canonical SMILES for 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C)c4)ccc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole?
The InChIKey is OKEJMSCUJJPTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N4O/c1-37-13-11-19-41(31-37)43-23-27-52-48(33-43)49-34-44(42-20-12-14-38(2)32-42)24-28-53(49)63(52)54-29-25-45(46-26-30-56-50(35-46)47-21-9-10-22-55(47)64-56)36-51(54)59-61-57(39-15-5-3-6-16-39)60-58(62-59)40-17-7-4-8-18-40/h3-36H,1-2H3.
What are the key properties of 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole?
9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole has a molecular weight of 821.00 g/mol, XLogP of 15.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole is sourced from PubChem (CID 155232239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).