1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole

C45H28N4O — CID 154602228

IUPAC1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c4c3)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)31-26-27-39-37(28-31)41-34(21-13-25-40(41)50-39)36-23-12-22-35-33-20-10-11-24-38(33)49(42(35)36)32-18-8-3-9-19-32/h1-28H
InChIKeyZQSXUEWKXVYBHS-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole

1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 154602228) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
PubChem CID154602228
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c4c3)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)31-26-27-39-37(28-31)41-34(21-13-25-40(41)50-39)36-23-12-22-35-33-20-10-11-24-38(33)49(42(35)36)32-18-8-3-9-19-32/h1-28H
InChIKeyZQSXUEWKXVYBHS-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-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768360
1-[8-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-(9-phenylcarbazol-4-yl)carbazole
CID 176874233
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 162775202
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[2-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602257
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(2-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 170080122
1-[2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 170191958
9-(9-phenyldibenzofuran-2-yl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080111
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The IUPAC name of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole (CID 154602228) is 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5c4c3)n2)cc1.
What is the InChIKey of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
The InChIKey is ZQSXUEWKXVYBHS-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)31-26-27-39-37(28-31)41-34(21-13-25-40(41)50-39)36-23-12-22-35-33-20-10-11-24-38(33)49(42(35)36)32-18-8-3-9-19-32/h1-28H.
What are the key properties of 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole?
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-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 1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 154602228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).