4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole

C45H28N4O — CID 139556525

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3cccc4c3oc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-15-29(16-5-1)32-22-12-23-33-34-24-13-28-39(42(34)50-41(32)33)49-37-26-11-10-21-35(37)40-36(25-14-27-38(40)49)45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31/h1-28H
InChIKeyNJIQDBHPTZDVGX-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole (PubChem CID 139556525) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
PubChem CID139556525
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3cccc4c3oc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-15-29(16-5-1)32-22-12-23-33-34-24-13-28-39(42(34)50-41(32)33)49-37-26-11-10-21-35(37)40-36(25-14-27-38(40)49)45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31/h1-28H
InChIKeyNJIQDBHPTZDVGX-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

9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,4-diphenylcarbazole
CID 155203344
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
9-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 170106292
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946
4-[4-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736762
9-[6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazole
CID 166952688
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole
CID 146541321
4-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-N,N-diphenylaniline
CID 90211165
9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 168769745
10-(4-phenylphenyl)-12-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 165032015
9-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]carbazole
CID 176773398

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole (CID 139556525) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3cccc4c3oc3c(-c5ccccc5)cccc34)n2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole?
The InChIKey is NJIQDBHPTZDVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-15-29(16-5-1)32-22-12-23-33-34-24-13-28-39(42(34)50-41(32)33)49-37-26-11-10-21-35(37)40-36(25-14-27-38(40)49)45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31/h1-28H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole 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 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 139556525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).