1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole

C36H23NO — CID 166046910

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C36H23NO/c1-4-13-33-29(10-1)30-11-2-5-14-34(30)37(33)28-19-16-24(17-20-28)25-8-7-9-26(22-25)27-18-21-32-31-12-3-6-15-35(31)38-36(32)23-27/h1-23H/i1D,2D,4D,5D,10D,11D,13D,14D
InChIKeyXVWKGTAKGYWIAO-UCJXZBSESA-N
MW493.63 g/mol
LogP10.02
Rot. Bonds3

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole (PubChem CID 166046910) has the molecular formula C36H23NO and a molecular weight of 493.63 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole
PubChem CID166046910
Molecular FormulaC36H23NO
Molecular Weight493.63 g/mol
Exact Mass493.23
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)cc1
InChIInChI=1S/C36H23NO/c1-4-13-33-29(10-1)30-11-2-5-14-34(30)37(33)28-19-16-24(17-20-28)25-8-7-9-26(22-25)27-18-21-32-31-12-3-6-15-35(31)38-36(32)23-27/h1-23H/i1D,2D,4D,5D,10D,11D,13D,14D
InChIKeyXVWKGTAKGYWIAO-UCJXZBSESA-N
XLogP10.02
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-[4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 177267896
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-tetradeuterio-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole
CID 177275319
1,3,4,5,6,8-hexadeuterio-9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098178
1,2,3,4-tetradeuterio-9-[9-[8-(3-phenylphenyl)dibenzofuran-1-yl]carbazol-2-yl]carbazole
CID 170517994
1,2,4,5,6,8-hexadeuterio-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 165166133
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
1,2,3,4,5,6,7,8-octadeuterio-9-[4-dibenzofuran-3-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]carbazole
CID 177098134
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
1,2,3,4,5,6,7,8-octadeuterio-9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 169059487
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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole (CID 166046910) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1ccc(-c2cccc(-c3ccc4c(c3)oc3ccccc34)c2)cc1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole?
The InChIKey is XVWKGTAKGYWIAO-UCJXZBSESA-N. The full InChI is InChI=1S/C36H23NO/c1-4-13-33-29(10-1)30-11-2-5-14-34(30)37(33)28-19-16-24(17-20-28)25-8-7-9-26(22-25)27-18-21-32-31-12-3-6-15-35(31)38-36(32)23-27/h1-23H/i1D,2D,4D,5D,10D,11D,13D,14D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole has a molecular weight of 493.63 g/mol, XLogP of 10.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 166046910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).