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

C45H28N4O — CID 169059264

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c12
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)44-46-43(31-15-5-2-6-16-31)47-45(48-44)35-19-11-23-39-41(35)42-38(22-12-24-40(42)50-39)49-36-20-9-7-17-33(36)34-18-8-10-21-37(34)49/h1-28H/i7D,8D,9D,10D,17D,18D,20D,21D
InChIKeyHIQJJOFMKWANLZ-RLXJXGEESA-N
MW648.79 g/mol
LogP11.54
Rot. Bonds5

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

1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole (PubChem CID 169059264) has the molecular formula C45H28N4O and a molecular weight of 648.79 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
PubChem CID169059264
Molecular FormulaC45H28N4O
Molecular Weight648.79 g/mol
Exact Mass648.28
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c12
InChIInChI=1S/C45H28N4O/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)44-46-43(31-15-5-2-6-16-31)47-45(48-44)35-19-11-23-39-41(35)42-38(22-12-24-40(42)50-39)49-36-20-9-7-17-33(36)34-18-8-10-21-37(34)49/h1-28H/i7D,8D,9D,10D,17D,18D,20D,21D
InChIKeyHIQJJOFMKWANLZ-RLXJXGEESA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.79
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole with MolForge

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[4-phenyl-6-(9-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 169018089
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 168770621
1,2,3,4,5,6,7,8-octadeuterio-9-[8-deuterio-9-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-4-yl]carbazole
CID 164788517
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
1,2,3,4-tetradeuterio-9-[4-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-8-(4-phenylphenyl)carbazole
CID 177275312
1,3,5,6,8,10-hexadeuterio-12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-11-phenylindolo[2,3-a]carbazole
CID 168770617
1,2,3,4,5,6,7-heptadeuterio-8-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 172519799
9-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168770543
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(8-phenyldibenzofuran-2-yl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177292415
1,2,3,4-tetradeuterio-9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113391
1,2,3,4,5,6,7,8-octadeuterio-9-[2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176849595
9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 165166776

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole (CID 169059264) is 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1cccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3c12.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
The InChIKey is HIQJJOFMKWANLZ-RLXJXGEESA-N. The full InChI is InChI=1S/C45H28N4O/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)44-46-43(31-15-5-2-6-16-31)47-45(48-44)35-19-11-23-39-41(35)42-38(22-12-24-40(42)50-39)49-36-20-9-7-17-33(36)34-18-8-10-21-37(34)49/h1-28H/i7D,8D,9D,10D,17D,18D,20D,21D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole has a molecular weight of 648.79 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 169059264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).