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

C45H28N4O — CID 154602275

IUPAC4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)32-24-26-40-37(27-32)35-25-23-31(28-41(35)50-40)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-17-8-3-9-18-33/h1-28H
InChIKeyXVSPUVJVAUSEDY-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

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

4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole (PubChem CID 154602275) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
PubChem CID154602275
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4c3)n2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)32-24-26-40-37(27-32)35-25-23-31(28-41(35)50-40)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-17-8-3-9-18-33/h1-28H
InChIKeyXVSPUVJVAUSEDY-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

4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277
9-[3-[4-(8-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162780137
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole
CID 162775252
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(7-phenyldibenzofuran-2-yl)carbazole
CID 162775165
4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 159816656
4-[9-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768741
9-phenyl-4-[8-[4-phenyl-6-[6-(9-phenylcarbazol-4-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 139342719
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 166962097
1-[2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 170191958
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 154601980

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?
The IUPAC name of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole (CID 154602275) is 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cc(-c6cccc7c6c6ccccc6n7-c6ccccc6)ccc5c4c3)n2)cc1.
What is the InChIKey of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?
The InChIKey is XVSPUVJVAUSEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-13-29(14-5-1)43-46-44(30-15-6-2-7-16-30)48-45(47-43)32-24-26-40-37(27-32)35-25-23-31(28-41(35)50-40)34-20-12-22-39-42(34)36-19-10-11-21-38(36)49(39)33-17-8-3-9-18-33/h1-28H.
What are the key properties of 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole?
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-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 4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 154602275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).