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

C51H32N4O — CID 177275529

IUPAC1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1cc(-c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H32N4O/c1-3-12-33(13-4-1)34-22-24-35(25-23-34)38-28-31-46-44(32-38)40-16-7-9-20-45(40)55(46)39-29-26-37(27-30-39)50-52-49(36-14-5-2-6-15-36)53-51(54-50)43-19-11-18-42-41-17-8-10-21-47(41)56-48(42)43/h1-32H/i7D,9D,16D,20D
InChIKeyWTCZGEDHCLIENU-UDGUYSDZSA-N
MW720.87 g/mol
LogP13.20
Rot. Bonds6

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

1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole (PubChem CID 177275529) has the molecular formula C51H32N4O and a molecular weight of 720.87 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole
PubChem CID177275529
Molecular FormulaC51H32N4O
Molecular Weight720.87 g/mol
Exact Mass720.28
IUPAC Name1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1cc(-c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H32N4O/c1-3-12-33(13-4-1)34-22-24-35(25-23-34)38-28-31-46-44(32-38)40-16-7-9-20-45(40)55(46)39-29-26-37(27-30-39)50-52-49(36-14-5-2-6-15-36)53-51(54-50)43-19-11-18-42-41-17-8-10-21-47(41)56-48(42)43/h1-32H/i7D,9D,16D,20D
InChIKeyWTCZGEDHCLIENU-UDGUYSDZSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113463
9-[4-(4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534356
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
1,2,3,4,5,6,7,8-octadeuterio-9-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 169059329
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113577
1,2,3,4,5,6,8-heptadeuterio-7-[3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519995
1,2,3,4-tetradeuterio-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole
CID 177275319
3-[7-[4-[8-[4-[4-dibenzofuran-3-yl-6-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 170140037
9-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole
CID 147477349
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113541
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
1,2,3,4,5,6,7-heptadeuterio-8-[4-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519929

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole?
The IUPAC name of 1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole (CID 177275529) is 1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole.
What is the SMILES notation for 1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole?
The canonical SMILES for 1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1cc(-c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole?
The InChIKey is WTCZGEDHCLIENU-UDGUYSDZSA-N. The full InChI is InChI=1S/C51H32N4O/c1-3-12-33(13-4-1)34-22-24-35(25-23-34)38-28-31-46-44(32-38)40-16-7-9-20-45(40)55(46)39-29-26-37(27-30-39)50-52-49(36-14-5-2-6-15-36)53-51(54-50)43-19-11-18-42-41-17-8-10-21-47(41)56-48(42)43/h1-32H/i7D,9D,16D,20D.
What are the key properties of 1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole?
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole has a molecular weight of 720.87 g/mol, XLogP of 13.20, 6 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-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole is sourced from PubChem (CID 177275529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).