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

C63H39N5O — CID 170240277

IUPAC2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6ccc7c8cc(-c9cccc%10c9c9ccccc9n%10-c9ccccc9)ccc8n(-c8ccccc8)c7c6)cc5c4c3)n2)cc1
InChIInChI=1S/C63H39N5O/c1-5-16-40(17-6-1)61-64-62(41-18-7-2-8-19-41)66-63(65-61)45-31-35-59-53(38-45)52-36-42(30-34-58(52)69-59)43-28-32-49-51-37-44(29-33-55(51)68(57(49)39-43)47-22-11-4-12-23-47)48-25-15-27-56-60(48)50-24-13-14-26-54(50)67(56)46-20-9-3-10-21-46/h1-39H
InChIKeyAGJKTGGPGRTGAN-UHFFFAOYSA-N
MW882.04 g/mol
LogP16.30
Rot. Bonds7

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

2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole (PubChem CID 170240277) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole.

Molecular Properties

Compound Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
PubChem CID170240277
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6ccc7c8cc(-c9cccc%10c9c9ccccc9n%10-c9ccccc9)ccc8n(-c8ccccc8)c7c6)cc5c4c3)n2)cc1
InChIInChI=1S/C63H39N5O/c1-5-16-40(17-6-1)61-64-62(41-18-7-2-8-19-41)66-63(65-61)45-31-35-59-53(38-45)52-36-42(30-34-58(52)69-59)43-28-32-49-51-37-44(29-33-55(51)68(57(49)39-43)47-22-11-4-12-23-47)48-25-15-27-56-60(48)50-24-13-14-26-54(50)67(56)46-20-9-3-10-21-46/h1-39H
InChIKeyAGJKTGGPGRTGAN-UHFFFAOYSA-N
XLogP16.30
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475085
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 154602275
2-[8-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]dibenzofuran-1-yl]-9-phenylcarbazole
CID 138475052
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
4-dibenzofuran-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176837796
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
CID 158650135
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
9-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-dibenzofuran-1-ylcarbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole;2-dibenzofuran-1-yl-9-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 159951134
3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3,6-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 161261635
3-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139338453
3-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-9-phenylcarbazole;4-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-9-phenylcarbazole;9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 159581525

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole?
The IUPAC name of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole (CID 170240277) is 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole.
What is the SMILES notation for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole?
The canonical SMILES for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6ccc7c8cc(-c9cccc%10c9c9ccccc9n%10-c9ccccc9)ccc8n(-c8ccccc8)c7c6)cc5c4c3)n2)cc1.
What is the InChIKey of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole?
The InChIKey is AGJKTGGPGRTGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-5-16-40(17-6-1)61-64-62(41-18-7-2-8-19-41)66-63(65-61)45-31-35-59-53(38-45)52-36-42(30-34-58(52)69-59)43-28-32-49-51-37-44(29-33-55(51)68(57(49)39-43)47-22-11-4-12-23-47)48-25-15-27-56-60(48)50-24-13-14-26-54(50)67(56)46-20-9-3-10-21-46/h1-39H.
What are the key properties of 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole?
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole has a molecular weight of 882.04 g/mol, XLogP of 16.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole is sourced from PubChem (CID 170240277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).