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

C61H38N4O — CID 155431004

IUPAC5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6oc7ccccc7c56)n4)cc3)cc2)cc1
InChIInChI=1S/C61H38N4O/c1-3-14-39(15-4-1)40-26-28-41(29-27-40)42-30-32-44(33-31-42)60-62-59(43-16-5-2-6-17-43)63-61(64-60)50-35-34-47(38-52(50)49-22-13-25-57-58(49)51-21-10-12-24-56(51)66-57)65-54-23-11-9-20-48(54)53-36-45-18-7-8-19-46(45)37-55(53)65/h1-38H
InChIKeyZRRRRBGXWPTDDW-UHFFFAOYSA-N
MW843.00 g/mol
LogP16.02
Rot. Bonds7

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

5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155431004) has the molecular formula C61H38N4O and a molecular weight of 843.00 g/mol. Its IUPAC name is 5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155431004
Molecular FormulaC61H38N4O
Molecular Weight843.00 g/mol
Exact Mass842.30
IUPAC Name5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6oc7ccccc7c56)n4)cc3)cc2)cc1
InChIInChI=1S/C61H38N4O/c1-3-14-39(15-4-1)40-26-28-41(29-27-40)42-30-32-44(33-31-42)60-62-59(43-16-5-2-6-17-43)63-61(64-60)50-35-34-47(38-52(50)49-22-13-25-57-58(49)51-21-10-12-24-56(51)66-57)65-54-23-11-9-20-48(54)53-36-45-18-7-8-19-46(45)37-55(53)65/h1-38H
InChIKeyZRRRRBGXWPTDDW-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-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155431025
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430580
5-[3-naphtho[2,3-b][1]benzofuran-1-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155431014
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
12-[3-dibenzofuran-1-yl-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)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 155430239
5-[3-dibenzofuran-4-yl-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430338
5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
CID 170253427
5-[1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 164715042
5-[3-dibenzofuran-1-yl-4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155430579
5-[3-dibenzofuran-4-yl-4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155430334
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163915985
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

Frequently Asked Questions

What is the IUPAC name of 5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155431004) is 5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)cc5-c5cccc6oc7ccccc7c56)n4)cc3)cc2)cc1.
What is the InChIKey of 5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is ZRRRRBGXWPTDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O/c1-3-14-39(15-4-1)40-26-28-41(29-27-40)42-30-32-44(33-31-42)60-62-59(43-16-5-2-6-17-43)63-61(64-60)50-35-34-47(38-52(50)49-22-13-25-57-58(49)51-21-10-12-24-56(51)66-57)65-54-23-11-9-20-48(54)53-36-45-18-7-8-19-46(45)37-55(53)65/h1-38H.
What are the key properties of 5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
5-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]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-[3-dibenzofuran-1-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155431004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).