12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole

C45H28N4O — CID 164757797

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c5ccc6c7ccccc7oc6c5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)30-23-25-31(26-24-30)34-20-12-21-36-37-27-28-38-35-19-10-11-22-39(35)50-42(38)41(37)49(40(34)36)45-47-43(32-15-6-2-7-16-32)46-44(48-45)33-17-8-3-9-18-33/h1-28H
InChIKeyZSCVZEXYSSFQDB-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 164757797) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
PubChem CID164757797
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc4c5ccc6c7ccccc7oc6c5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)30-23-25-31(26-24-30)34-20-12-21-36-37-27-28-38-35-19-10-11-22-39(35)50-42(38)41(37)49(40(34)36)45-47-43(32-15-6-2-7-16-32)46-44(48-45)33-17-8-3-9-18-33/h1-28H
InChIKeyZSCVZEXYSSFQDB-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

1-phenyl-12-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164932839
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-a]carbazole
CID 164757785
12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 166953087
12-[4-phenyl-6-[4-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164933118
12-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163732544
3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164757806
2-dibenzofuran-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 165103058
3-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;4-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 164994834
12-[4-dibenzofuran-3-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163423429
9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572704
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165478
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,4-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164757744

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole (CID 164757797) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2ccc(-c3cccc4c5ccc6c7ccccc7oc6c5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is ZSCVZEXYSSFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-13-29(14-5-1)30-23-25-31(26-24-30)34-20-12-21-36-37-27-28-38-35-19-10-11-22-39(35)50-42(38)41(37)49(40(34)36)45-47-43(32-15-6-2-7-16-32)46-44(48-45)33-17-8-3-9-18-33/h1-28H.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]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 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 164757797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).