3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole

C51H28N4O3 — CID 121449444

IUPAC3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc12
InChIInChI=1S/C51H28N4O3/c1-5-19-41-31(11-1)39-27-29(30-24-26-46-40(28-30)34-14-4-6-20-43(34)56-46)23-25-42(39)55(41)51-53-49(37-17-9-15-35-32-12-2-7-21-44(32)57-47(35)37)52-50(54-51)38-18-10-16-36-33-13-3-8-22-45(33)58-48(36)38/h1-28H
InChIKeyCKMBQQMHOXJOLC-UHFFFAOYSA-N
MW744.81 g/mol
LogP13.67
Rot. Bonds4

About 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole

3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 121449444) has the molecular formula C51H28N4O3 and a molecular weight of 744.81 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID121449444
Molecular FormulaC51H28N4O3
Molecular Weight744.81 g/mol
Exact Mass744.22
IUPAC Name3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc12
InChIInChI=1S/C51H28N4O3/c1-5-19-41-31(11-1)39-27-29(30-24-26-46-40(28-30)34-14-4-6-20-43(34)56-46)23-25-42(39)55(41)51-53-49(37-17-9-15-35-32-12-2-7-21-44(32)57-47(35)37)52-50(54-51)38-18-10-16-36-33-13-3-8-22-45(33)58-48(36)38/h1-28H
InChIKeyCKMBQQMHOXJOLC-UHFFFAOYSA-N
XLogP13.67
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.81
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
3-[7-[4-[8-[4-[4-dibenzofuran-3-yl-6-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 170140037
11-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118153977
9-[4-(9-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357986
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
CID 174072563
CID 174072563
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385
9-[4-carbazol-9-yl-6-[3-(4-dibenzofuran-4-ylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742643
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (CID 121449444) is 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole is c1ccc2c(c1)oc1ccc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)cc12.
What is the InChIKey of 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is CKMBQQMHOXJOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O3/c1-5-19-41-31(11-1)39-27-29(30-24-26-46-40(28-30)34-14-4-6-20-43(34)56-46)23-25-42(39)55(41)51-53-49(37-17-9-15-35-32-12-2-7-21-44(32)57-47(35)37)52-50(54-51)38-18-10-16-36-33-13-3-8-22-45(33)58-48(36)38/h1-28H.
What are the key properties of 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 744.81 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 121449444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).