1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole

C57H36N4O — CID 166134969

IUPAC1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
SMILESc1ccc(-c2ccccc2-c2nnnc(-c3cccc4oc5ccccc5c34)c2-c2c(-c3ccccc3)ccc(-c3ccccc3)c2-c2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C57H36N4O/c1-4-18-36(19-5-1)39-24-10-11-26-43(39)56-54(57(60-61-59-56)46-30-17-33-50-51(46)45-27-13-15-32-49(45)62-50)53-41(38-22-8-3-9-23-38)35-34-40(37-20-6-2-7-21-37)52(53)47-29-16-28-44-42-25-12-14-31-48(42)58-55(44)47/h1-35,58H
InChIKeyBIHHLAWLWHZADJ-UHFFFAOYSA-N
MW792.94 g/mol
LogP15.07
Rot. Bonds7

About 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole

1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole (PubChem CID 166134969) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
PubChem CID166134969
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole
SMILESc1ccc(-c2ccccc2-c2nnnc(-c3cccc4oc5ccccc5c34)c2-c2c(-c3ccccc3)ccc(-c3ccccc3)c2-c2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C57H36N4O/c1-4-18-36(19-5-1)39-24-10-11-26-43(39)56-54(57(60-61-59-56)46-30-17-33-50-51(46)45-27-13-15-32-49(45)62-50)53-41(38-22-8-3-9-23-38)35-34-40(37-20-6-2-7-21-37)52(53)47-29-16-28-44-42-25-12-14-31-48(42)58-55(44)47/h1-35,58H
InChIKeyBIHHLAWLWHZADJ-UHFFFAOYSA-N
XLogP15.07
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 515.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]-3-phenylphenyl]-9H-carbazole
CID 166134015
1-[2-[4,6-di(dibenzofuran-1-yl)triazin-5-yl]phenyl]-9H-carbazole
CID 166134655
4-(2-dibenzofuran-1-yl-3,6-diphenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134711
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
4-(2-dibenzofuran-1-yl-6-phenylphenyl)-6-phenyl-5-(2-phenylphenyl)triazine
CID 166134431
5-dibenzofuran-1-yl-4,6-diphenyltriazine
CID 175810934
4-phenyl-5-(2-phenylphenyl)-6-[1-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 166133631
2-(2-phenyl-9H-carbazol-1-yl)-1H-[1]benzofuro[2,3-g]indole
CID 166134224
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-(1-dibenzofuran-1-yl-9H-fluoren-2-yl)-2-phenyl-9H-carbazole
CID 166134395
9-(9H-carbazol-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 154697221
N-[2-(9H-carbazol-1-yl)-6-phenylphenyl]-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 166134940

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole?
The IUPAC name of 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole (CID 166134969) is 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole.
What is the SMILES notation for 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole?
The canonical SMILES for 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole is c1ccc(-c2ccccc2-c2nnnc(-c3cccc4oc5ccccc5c34)c2-c2c(-c3ccccc3)ccc(-c3ccccc3)c2-c2cccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole?
The InChIKey is BIHHLAWLWHZADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-18-36(19-5-1)39-24-10-11-26-43(39)56-54(57(60-61-59-56)46-30-17-33-50-51(46)45-27-13-15-32-49(45)62-50)53-41(38-22-8-3-9-23-38)35-34-40(37-20-6-2-7-21-37)52(53)47-29-16-28-44-42-25-12-14-31-48(42)58-55(44)47/h1-35,58H.
What are the key properties of 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole?
1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole has a molecular weight of 792.94 g/mol, XLogP of 15.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-dibenzofuran-1-yl-6-(2-phenylphenyl)triazin-5-yl]-3,6-diphenylphenyl]-9H-carbazole is sourced from PubChem (CID 166134969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).