5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole

C61H38N4O — CID 155450095

IUPAC5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccccc4)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C61H38N4O/c1-5-19-39(20-6-1)49-38-51(61-63-59(42-25-11-4-12-26-42)62-60(64-61)45-33-34-48-47-30-16-18-32-54(47)66-55(48)37-45)56(40-21-7-2-8-22-40)57(41-23-9-3-10-24-41)58(49)65-52-31-17-15-29-46(52)50-35-43-27-13-14-28-44(43)36-53(50)65/h1-38H
InChIKeyDFHUHOQRRWUXGW-UHFFFAOYSA-N
MW843.00 g/mol
LogP16.02
Rot. Bonds7

About 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole

5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole (PubChem CID 155450095) has the molecular formula C61H38N4O and a molecular weight of 843.00 g/mol. Its IUPAC name is 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole
PubChem CID155450095
Molecular FormulaC61H38N4O
Molecular Weight843.00 g/mol
Exact Mass842.30
IUPAC Name5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccccc4)c3-c3ccccc3)n2)cc1
InChIInChI=1S/C61H38N4O/c1-5-19-39(20-6-1)49-38-51(61-63-59(42-25-11-4-12-26-42)62-60(64-61)45-33-34-48-47-30-16-18-32-54(47)66-55(48)37-45)56(40-21-7-2-8-22-40)57(41-23-9-3-10-24-41)58(49)65-52-31-17-15-29-46(52)50-35-43-27-13-14-28-44(43)36-53(50)65/h1-38H
InChIKeyDFHUHOQRRWUXGW-UHFFFAOYSA-N
XLogP16.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)-2-phenylnaphthalen-1-yl]benzo[b]carbazole
CID 155450030
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-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 166917707
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
5-[1-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 164714928
5-[2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 166915274
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 146280840
2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691606
2-carbazol-9-yl-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097738
12-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-3-(2-phenylphenyl)phenyl]-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 155449985
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 155043108
5-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347318
5-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155451004

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole (CID 155450095) is 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c(-c4ccccc4)c3-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole?
The InChIKey is DFHUHOQRRWUXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O/c1-5-19-39(20-6-1)49-38-51(61-63-59(42-25-11-4-12-26-42)62-60(64-61)45-33-34-48-47-30-16-18-32-54(47)66-55(48)37-45)56(40-21-7-2-8-22-40)57(41-23-9-3-10-24-41)58(49)65-52-31-17-15-29-46(52)50-35-43-27-13-14-28-44(43)36-53(50)65/h1-38H.
What are the key properties of 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole?
5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole has a molecular weight of 843.00 g/mol, XLogP of 16.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2,3,6-triphenylphenyl]benzo[b]carbazole is sourced from PubChem (CID 155450095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).