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

C57H36N4O — CID 177275252

IUPAC1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccc(-c4ccccc4)cc3)c1n2-c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C57H36N4O/c1-3-13-37(14-4-1)39-25-27-40(28-26-39)46-21-12-22-50-47-19-7-9-23-51(47)61(54(46)50)45-32-29-41(30-33-45)55-58-56(43-18-11-17-42(35-43)38-15-5-2-6-16-38)60-57(59-55)44-31-34-49-48-20-8-10-24-52(48)62-53(49)36-44/h1-36H/i7D,9D,19D,23D
InChIKeyUCBOYXKCGQRBQH-OIDHPJKJSA-N
MW796.97 g/mol
LogP14.87
Rot. Bonds7

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

1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole (PubChem CID 177275252) has the molecular formula C57H36N4O and a molecular weight of 796.97 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
PubChem CID177275252
Molecular FormulaC57H36N4O
Molecular Weight796.97 g/mol
Exact Mass796.31
IUPAC Name1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccc(-c4ccccc4)cc3)c1n2-c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C57H36N4O/c1-3-13-37(14-4-1)39-25-27-40(28-26-39)46-21-12-22-50-47-19-7-9-23-51(47)61(54(46)50)45-32-29-41(30-33-45)55-58-56(43-18-11-17-42(35-43)38-15-5-2-6-16-38)60-57(59-55)44-31-34-49-48-20-8-10-24-52(48)62-53(49)36-44/h1-36H/i7D,9D,19D,23D
InChIKeyUCBOYXKCGQRBQH-OIDHPJKJSA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.97
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole with MolForge

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Related Compounds

1,2,3,4-tetradeuterio-8-(4-phenylphenyl)-9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275493
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-8-(3,5-diphenylphenyl)carbazole
CID 177275444
1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
CID 177275312
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113231
1,2,3,4-tetradeuterio-8-[4-(4-phenylphenyl)phenyl]-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177275219
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole
CID 177275264
1,2,3,4,5,6,7-heptadeuterio-8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(3-phenylphenyl)carbazole
CID 172519962
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176849595
6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
CID 155201239
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole
CID 166046910
1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 172520064
1,2,3,4-tetradeuterio-8-(3,5-diphenylphenyl)-9-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177275370

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole (CID 177275252) is 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1cccc(-c3ccc(-c4ccccc4)cc3)c1n2-c1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole?
The InChIKey is UCBOYXKCGQRBQH-OIDHPJKJSA-N. The full InChI is InChI=1S/C57H36N4O/c1-3-13-37(14-4-1)39-25-27-40(28-26-39)46-21-12-22-50-47-19-7-9-23-51(47)61(54(46)50)45-32-29-41(30-33-45)55-58-56(43-18-11-17-42(35-43)38-15-5-2-6-16-38)60-57(59-55)44-31-34-49-48-20-8-10-24-52(48)62-53(49)36-44/h1-36H/i7D,9D,19D,23D.
What are the key properties of 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole?
1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole has a molecular weight of 796.97 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole is sourced from PubChem (CID 177275252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).