9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole

C57H36N4O — CID 138599546

IUPAC9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C57H36N4O/c1-5-16-37(17-6-1)41-28-31-45-46-32-29-42(38-18-7-2-8-19-38)36-52(46)61(51(45)35-41)50-33-30-43(44-25-15-26-48-47-24-13-14-27-53(47)62-54(44)48)34-49(50)57-59-55(39-20-9-3-10-21-39)58-56(60-57)40-22-11-4-12-23-40/h1-36H
InChIKeyVSGGCWNZDMZMFW-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

About 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole

9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole (PubChem CID 138599546) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
PubChem CID138599546
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C57H36N4O/c1-5-16-37(17-6-1)41-28-31-45-46-32-29-42(38-18-7-2-8-19-38)36-52(46)61(51(45)35-41)50-33-30-43(44-25-15-26-48-47-24-13-14-27-53(47)62-54(44)48)34-49(50)57-59-55(39-20-9-3-10-21-39)58-56(60-57)40-22-11-4-12-23-40/h1-36H
InChIKeyVSGGCWNZDMZMFW-UHFFFAOYSA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole with MolForge

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Related Compounds

2-dibenzofuran-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 165033943
3-[9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232627
9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(3,5-diisocyanophenyl)carbazole
CID 155628181
9-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147508065
2-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 163662232
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
2-dibenzofuran-4-yl-9-[2-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165073222
2-[9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile
CID 155628224
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3-phenylphenyl)carbazole
CID 142377722
2-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;6-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 165107599
2-[4-[4-dibenzofuran-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165160169
9-[4-dibenzofuran-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-methylphenyl)carbazole
CID 155232493

Frequently Asked Questions

What is the IUPAC name of 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole (CID 138599546) is 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole is c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole?
The InChIKey is VSGGCWNZDMZMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-5-16-37(17-6-1)41-28-31-45-46-32-29-42(38-18-7-2-8-19-38)36-52(46)61(51(45)35-41)50-33-30-43(44-25-15-26-48-47-24-13-14-27-53(47)62-54(44)48)34-49(50)57-59-55(39-20-9-3-10-21-39)58-56(60-57)40-22-11-4-12-23-40/h1-36H.
What are the key properties of 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole?
9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-dibenzofuran-4-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole is sourced from PubChem (CID 138599546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).