7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole

C57H34N4O2 — CID 164932897

IUPAC7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)n5)c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C57H34N4O2/c1-4-15-35(16-5-1)39-29-40(36-17-6-2-7-18-36)31-41(30-39)56-58-55(38-27-28-45-52(32-38)63-51-26-14-23-42(54(45)51)37-19-8-3-9-20-37)59-57(60-56)61-48-24-12-10-21-43(48)46-33-47-44-22-11-13-25-50(44)62-53(47)34-49(46)61/h1-34H/i3D,8D,9D,14D,19D,20D,23D,26D,27D,28D,32D
InChIKeyBADCXDKFIZDCKZ-FKABOJKCSA-N
MW817.99 g/mol
LogP15.10
Rot. Bonds6

About 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole

7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 164932897) has the molecular formula C57H34N4O2 and a molecular weight of 817.99 g/mol. Its IUPAC name is 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
PubChem CID164932897
Molecular FormulaC57H34N4O2
Molecular Weight817.99 g/mol
Exact Mass817.34
IUPAC Name7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)n5)c([2H])c([2H])c4c23)c([2H])c1[2H]
InChIInChI=1S/C57H34N4O2/c1-4-15-35(16-5-1)39-29-40(36-17-6-2-7-18-36)31-41(30-39)56-58-55(38-27-28-45-52(32-38)63-51-26-14-23-42(54(45)51)37-19-8-3-9-20-37)59-57(60-56)61-48-24-12-10-21-43(48)46-33-47-44-22-11-13-25-50(44)62-53(47)34-49(46)61/h1-34H/i3D,8D,9D,14D,19D,20D,23D,26D,27D,28D,32D
InChIKeyBADCXDKFIZDCKZ-FKABOJKCSA-N
XLogP15.10
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

7-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164932795
7-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164932936
7-[4-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164932811
12-[4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-11-(2,3,4,5,6-pentadeuteriophenyl)indolo[2,3-a]carbazole
CID 172513509
2-(2-dibenzofuran-3-ylphenyl)-4-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 177107049
2-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168748973
12-[4-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164932934
2-dibenzofuran-3-yl-4-[1,2,4,6,7,8-hexadeuterio-9-(4-phenylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 177107375
2-dibenzofuran-3-yl-4-[1,2,4,6,7,8-hexadeuterio-9-[2,4,6-trideuterio-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 177107200
2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177107250
2-dibenzofuran-1-yl-4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177107360
1,2,3,4,7,8,9,10,12-nonadeuterio-11-[4-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 164932709

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole (CID 164932897) is 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c([2H])c3oc4c([2H])c(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)n5)c([2H])c([2H])c4c23)c([2H])c1[2H].
What is the InChIKey of 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is BADCXDKFIZDCKZ-FKABOJKCSA-N. The full InChI is InChI=1S/C57H34N4O2/c1-4-15-35(16-5-1)39-29-40(36-17-6-2-7-18-36)31-41(30-39)56-58-55(38-27-28-45-52(32-38)63-51-26-14-23-42(54(45)51)37-19-8-3-9-20-37)59-57(60-56)61-48-24-12-10-21-43(48)46-33-47-44-22-11-13-25-50(44)62-53(47)34-49(46)61/h1-34H/i3D,8D,9D,14D,19D,20D,23D,26D,27D,28D,32D.
What are the key properties of 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole?
7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 817.99 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3,5-diphenylphenyl)-6-[1,2,4,6,7,8-hexadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 164932897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).