2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole

C51H32N4O — CID 162775252

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole
SMILESc1ccc(-c2ccc3oc4cc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc6c5c5ccccc5n6-c5ccccc5)ccc4c3c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-15-33(16-6-1)36-26-28-46-43(29-36)40-27-25-37(32-47(40)56-46)42-30-38(31-45-48(42)41-23-13-14-24-44(41)55(45)39-21-11-4-12-22-39)51-53-49(34-17-7-2-8-18-34)52-50(54-51)35-19-9-3-10-20-35/h1-32H
InChIKeyNQHBPJOQDDKOOQ-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole (PubChem CID 162775252) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole
PubChem CID162775252
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole
SMILESc1ccc(-c2ccc3oc4cc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc6c5c5ccccc5n6-c5ccccc5)ccc4c3c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-15-33(16-6-1)36-26-28-46-43(29-36)40-27-25-37(32-47(40)56-46)42-30-38(31-45-48(42)41-23-13-14-24-44(41)55(45)39-21-11-4-12-22-39)51-53-49(34-17-7-2-8-18-34)52-50(54-51)35-19-9-3-10-20-35/h1-32H
InChIKeyNQHBPJOQDDKOOQ-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(7-phenyldibenzofuran-2-yl)carbazole
CID 162775165
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 154602336
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole
CID 155203348
9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087437
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 166009472
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 165103461
5-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 171596946
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole (CID 162775252) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole is c1ccc(-c2ccc3oc4cc(-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc6c5c5ccccc5n6-c5ccccc5)ccc4c3c2)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole?
The InChIKey is NQHBPJOQDDKOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-15-33(16-6-1)36-26-28-46-43(29-36)40-27-25-37(32-47(40)56-46)42-30-38(31-45-48(42)41-23-13-14-24-44(41)55(45)39-21-11-4-12-22-39)51-53-49(34-17-7-2-8-18-34)52-50(54-51)35-19-9-3-10-20-35/h1-32H.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole is sourced from PubChem (CID 162775252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).