9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole

C63H38N4OS — CID 142568485

IUPAC9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)c2n3-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C63H38N4OS/c1-3-15-39(16-4-1)43-32-34-55-54(37-43)52-27-13-25-47(44-21-11-19-41(35-44)42-20-12-22-45(36-42)48-26-14-28-53-51-24-8-10-30-58(51)69-60(48)53)59(52)67(55)63-65-61(40-17-5-2-6-18-40)64-62(66-63)46-31-33-50-49-23-7-9-29-56(49)68-57(50)38-46/h1-38H
InChIKeySLZMMXZPQDMCTJ-UHFFFAOYSA-N
MW899.09 g/mol
LogP17.24
Rot. Bonds7

About 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole

9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole (PubChem CID 142568485) has the molecular formula C63H38N4OS and a molecular weight of 899.09 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole
PubChem CID142568485
Molecular FormulaC63H38N4OS
Molecular Weight899.09 g/mol
Exact Mass898.28
IUPAC Name9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)c2n3-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C63H38N4OS/c1-3-15-39(16-4-1)43-32-34-55-54(37-43)52-27-13-25-47(44-21-11-19-41(35-44)42-20-12-22-45(36-42)48-26-14-28-53-51-24-8-10-30-58(51)69-60(48)53)59(52)67(55)63-65-61(40-17-5-2-6-18-40)64-62(66-63)46-31-33-50-49-23-7-9-29-56(49)68-57(50)38-46/h1-38H
InChIKeySLZMMXZPQDMCTJ-UHFFFAOYSA-N
XLogP17.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.09
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole
CID 163840544
2-dibenzofuran-3-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 154626584
2-dibenzofuran-3-yl-4-(3-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 139404336
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
7-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-8-(3-dibenzothiophen-4-ylphenyl)benzo[c]carbazole;propane
CID 142568154
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7-phenyldibenzofuran-2-yl)carbazole
CID 167309895
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-[8-(2-dibenzothiophen-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192356
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
CID 142569486
2-dibenzofuran-3-yl-4-[4-(8-phenyldibenzothiophen-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850202
3-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171730115

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole?
The IUPAC name of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole (CID 142568485) is 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole.
What is the SMILES notation for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole?
The canonical SMILES for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5cccc(-c6cccc7c6sc6ccccc67)c5)c4)c2n3-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole?
The InChIKey is SLZMMXZPQDMCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4OS/c1-3-15-39(16-4-1)43-32-34-55-54(37-43)52-27-13-25-47(44-21-11-19-41(35-44)42-20-12-22-45(36-42)48-26-14-28-53-51-24-8-10-30-58(51)69-60(48)53)59(52)67(55)63-65-61(40-17-5-2-6-18-40)64-62(66-63)46-31-33-50-49-23-7-9-29-56(49)68-57(50)38-46/h1-38H.
What are the key properties of 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole?
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole has a molecular weight of 899.09 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylcarbazole is sourced from PubChem (CID 142568485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).