5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

C45H26N4O2 — CID 176637269

IUPAC5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c5oc6c([2H])c([2H])c([2H])c([2H])c6c45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C45H26N4O2/c1-2-11-27(12-3-1)28-21-23-29(24-22-28)43-46-44(34-16-10-20-39-40(34)33-15-6-9-19-38(33)50-39)48-45(47-43)49-35-17-7-4-14-32(35)41-36(49)26-25-31-30-13-5-8-18-37(30)51-42(31)41/h1-26H/i1D,2D,3D,6D,9D,10D,11D,12D,15D,16D,19D,20D,21D,22D,23D,24D
InChIKeyOQTDLSVFMBYHHZ-LFTMLLDDSA-N
MW670.83 g/mol
LogP11.77
Rot. Bonds4

About 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 176637269) has the molecular formula C45H26N4O2 and a molecular weight of 670.83 g/mol. Its IUPAC name is 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID176637269
Molecular FormulaC45H26N4O2
Molecular Weight670.83 g/mol
Exact Mass670.31
IUPAC Name5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c5oc6c([2H])c([2H])c([2H])c([2H])c6c45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C45H26N4O2/c1-2-11-27(12-3-1)28-21-23-29(24-22-28)43-46-44(34-16-10-20-39-40(34)33-15-6-9-19-38(33)50-39)48-45(47-43)49-35-17-7-4-14-32(35)41-36(49)26-25-31-30-13-5-8-18-37(30)51-42(31)41/h1-26H/i1D,2D,3D,6D,9D,10D,11D,12D,15D,16D,19D,20D,21D,22D,23D,24D
InChIKeyOQTDLSVFMBYHHZ-LFTMLLDDSA-N
XLogP11.77
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.83
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 164933012
2-dibenzofuran-4-yl-4-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171457308
5-[7-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 165165860
2-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-4-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,5,6-tetradeuterio-4-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 170926592
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
14-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 164933134
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-1,3,5-triazine
CID 171057057
9-[6-[4-dibenzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 160655228
2-(2,3,4,5,6-pentadeuteriophenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)phenyl]-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 170926439
2-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-4-(2,3,4,6,7,8-hexadeuterio-5-phenylnaphthalen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 168731730

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 176637269) is 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(-c3nc(-c4c([2H])c([2H])c([2H])c5oc6c([2H])c([2H])c([2H])c([2H])c6c45)nc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)n3)c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is OQTDLSVFMBYHHZ-LFTMLLDDSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-2-11-27(12-3-1)28-21-23-29(24-22-28)43-46-44(34-16-10-20-39-40(34)33-15-6-9-19-38(33)50-39)48-45(47-43)49-35-17-7-4-14-32(35)41-36(49)26-25-31-30-13-5-8-18-37(30)51-42(31)41/h1-26H/i1D,2D,3D,6D,9D,10D,11D,12D,15D,16D,19D,20D,21D,22D,23D,24D.
What are the key properties of 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 670.83 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 176637269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).