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

C45H28N4O — CID 118507595

IUPAC2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)37-26-32(28-41-42(37)36-21-11-13-23-40(36)50-41)31-24-25-35-34-20-10-12-22-38(34)49(39(35)27-31)33-18-8-3-9-19-33/h1-28H
InChIKeyQKLPIJXYQODNRJ-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole (PubChem CID 118507595) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
PubChem CID118507595
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)37-26-32(28-41-42(37)36-21-11-13-23-40(36)50-41)31-24-25-35-34-20-10-12-22-38(34)49(39(35)27-31)33-18-8-3-9-19-33/h1-28H
InChIKeyQKLPIJXYQODNRJ-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 129291963
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377
9-[4-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 174245138
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938682
9-[3-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole
CID 135143755
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 165375370
9-phenyl-2-[6-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 155477559
9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 162775185
12-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 171402489

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole (CID 118507595) is 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?
The InChIKey is QKLPIJXYQODNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)37-26-32(28-41-42(37)36-21-11-13-23-40(36)50-41)31-24-25-35-34-20-10-12-22-38(34)49(39(35)27-31)33-18-8-3-9-19-33/h1-28H.
What are the key properties of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 118507595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).