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

C45H26N4O2 — CID 164933012

IUPAC5-[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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c34)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)c([2H])c1[2H]
InChIInChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)30-18-11-21-38-40(30)34-23-22-29(26-39(34)50-38)44-46-43(28-14-5-2-6-15-28)47-45(48-44)49-35-19-9-7-17-33(35)41-36(49)25-24-32-31-16-8-10-20-37(31)51-42(32)41/h1-26H/i1D,2D,3D,4D,5D,6D,12D,13D,14D,15D
InChIKeyBRWPTSTXFVCWGA-RXOJMXQBSA-N
MW664.79 g/mol
LogP11.77
Rot. Bonds4

About 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

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 (PubChem CID 164933012) has the molecular formula C45H26N4O2 and a molecular weight of 664.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID164933012
Molecular FormulaC45H26N4O2
Molecular Weight664.79 g/mol
Exact Mass664.27
IUPAC Name5-[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
SMILES[2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c34)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)c([2H])c1[2H]
InChIInChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)30-18-11-21-38-40(30)34-23-22-29(26-39(34)50-38)44-46-43(28-14-5-2-6-15-28)47-45(48-44)49-35-19-9-7-17-33(35)41-36(49)25-24-32-31-16-8-10-20-37(31)51-42(32)41/h1-26H/i1D,2D,3D,4D,5D,6D,12D,13D,14D,15D
InChIKeyBRWPTSTXFVCWGA-RXOJMXQBSA-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 ≤ 500664.79
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
12-[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-a]carbazole
CID 164932662
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
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
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
7-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-b]carbazole;11-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-b]carbazole;5-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzofuro[3,2-c]carbazole
CID 167580413
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
5-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164932797
9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 168770056
9-[4-[7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 168770059
14-[7-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-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 165165802
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098134

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2nc(-c3ccc4c(c3)oc3cccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c34)nc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is BRWPTSTXFVCWGA-RXOJMXQBSA-N. The full InChI is InChI=1S/C45H26N4O2/c1-3-12-27(13-4-1)30-18-11-21-38-40(30)34-23-22-29(26-39(34)50-38)44-46-43(28-14-5-2-6-15-28)47-45(48-44)49-35-19-9-7-17-33(35)41-36(49)25-24-32-31-16-8-10-20-37(31)51-42(32)41/h1-26H/i1D,2D,3D,4D,5D,6D,12D,13D,14D,15D.
What are the key properties of 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?
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 has a molecular weight of 664.79 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-(2,3,4,5,6-pentadeuteriophenyl)-6-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 164933012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).