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

C51H32N4O — CID 165078479

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2ccc3oc4cccc(-c5ccc6c(c5)c5ccc(-c7ccccc7)cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-14-33(15-6-1)37-26-29-46-43(30-37)48-40(22-13-23-47(48)56-46)39-25-28-44-42(31-39)41-27-24-38(34-16-7-2-8-17-34)32-45(41)55(44)51-53-49(35-18-9-3-10-19-35)52-50(54-51)36-20-11-4-12-21-36/h1-32H
InChIKeyXNSXJETUVQLBKZ-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole (PubChem CID 165078479) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole
PubChem CID165078479
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2ccc3oc4cccc(-c5ccc6c(c5)c5ccc(-c7ccccc7)cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1
InChIInChI=1S/C51H32N4O/c1-5-14-33(15-6-1)37-26-29-46-43(30-37)48-40(22-13-23-47(48)56-46)39-25-28-44-42(31-39)41-27-24-38(34-16-7-2-8-17-34)32-45(41)55(44)51-53-49(35-18-9-3-10-19-35)52-50(54-51)36-20-11-4-12-21-36/h1-32H
InChIKeyXNSXJETUVQLBKZ-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-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636
3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 166953160
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093
9-[4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358272
9-[4-[3-(8-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358426
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
2-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167292938
9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylcarbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 159951134

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole (CID 165078479) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole is c1ccc(-c2ccc3oc4cccc(-c5ccc6c(c5)c5ccc(-c7ccccc7)cc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole?
The InChIKey is XNSXJETUVQLBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-5-14-33(15-6-1)37-26-29-46-43(30-37)48-40(22-13-23-47(48)56-46)39-25-28-44-42(31-39)41-27-24-38(34-16-7-2-8-17-34)32-45(41)55(44)51-53-49(35-18-9-3-10-19-35)52-50(54-51)36-20-11-4-12-21-36/h1-32H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-6-(8-phenyldibenzofuran-1-yl)carbazole is sourced from PubChem (CID 165078479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).