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

C57H33N5O2 — CID 146816621

IUPAC9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4oc5ccccc5c34)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H33N5O2/c1-2-16-34(17-3-1)55-58-56(53-45(30-32-49-51(53)39-22-8-14-28-47(39)63-49)61-41-24-10-4-18-35(41)36-19-5-11-25-42(36)61)60-57(59-55)54-46(31-33-50-52(54)40-23-9-15-29-48(40)64-50)62-43-26-12-6-20-37(43)38-21-7-13-27-44(38)62/h1-33H
InChIKeySBFLWTZRLAFWSG-UHFFFAOYSA-N
MW819.92 g/mol
LogP14.87
Rot. Bonds5

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

9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 146816621) has the molecular formula C57H33N5O2 and a molecular weight of 819.92 g/mol. Its IUPAC name is 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
PubChem CID146816621
Molecular FormulaC57H33N5O2
Molecular Weight819.92 g/mol
Exact Mass819.26
IUPAC Name9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4oc5ccccc5c34)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C57H33N5O2/c1-2-16-34(17-3-1)55-58-56(53-45(30-32-49-51(53)39-22-8-14-28-47(39)63-49)61-41-24-10-4-18-35(41)36-19-5-11-25-42(36)61)60-57(59-55)54-46(31-33-50-52(54)40-23-9-15-29-48(40)64-50)62-43-26-12-6-20-37(43)38-21-7-13-27-44(38)62/h1-33H
InChIKeySBFLWTZRLAFWSG-UHFFFAOYSA-N
XLogP14.87
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.92
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 167032751
5-[1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714916
5-[1-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714946
5-[1-[4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714728
12-[1-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 164714868
5-[1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714559
5-[1-[4-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714619
5H-benzo[b]carbazole;2-(2-chlorodibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164950412
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714738
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-a]carbazole
CID 146976667
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821

Frequently Asked Questions

What is the IUPAC name of 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole (CID 146816621) is 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is c1ccc(-c2nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4oc5ccccc5c34)nc(-c3c(-n4c5ccccc5c5ccccc54)ccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is SBFLWTZRLAFWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H33N5O2/c1-2-16-34(17-3-1)55-58-56(53-45(30-32-49-51(53)39-22-8-14-28-47(39)63-49)61-41-24-10-4-18-35(41)36-19-5-11-25-42(36)61)60-57(59-55)54-46(31-33-50-52(54)40-23-9-15-29-48(40)64-50)62-43-26-12-6-20-37(43)38-21-7-13-27-44(38)62/h1-33H.
What are the key properties of 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole?
9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 819.92 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[4-(2-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 146816621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).