9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole

C45H28N4O — CID 168770621

IUPAC9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2cccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c23)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-15-29(16-5-1)32-22-12-25-36-40(32)33-21-10-11-24-35(33)49(36)37-26-14-28-39-42(37)41-34(23-13-27-38(41)50-39)45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31/h1-28H/i1D,4D,5D,15D,16D
InChIKeyFPMHQOPSVOFTOB-KTZHZIRUSA-N
MW645.78 g/mol
LogP11.54
Rot. Bonds5

About 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 168770621) has the molecular formula C45H28N4O and a molecular weight of 645.78 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

Compound Name9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
PubChem CID168770621
Molecular FormulaC45H28N4O
Molecular Weight645.78 g/mol
Exact Mass645.26
IUPAC Name9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2cccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c23)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-15-29(16-5-1)32-22-12-25-36-40(32)33-21-10-11-24-35(33)49(36)37-26-14-28-39-42(37)41-34(23-13-27-38(41)50-39)45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31/h1-28H/i1D,4D,5D,15D,16D
InChIKeyFPMHQOPSVOFTOB-KTZHZIRUSA-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 ≤ 500645.78
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-[4-(9-carbazol-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166961356
4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 168770347
9-[9-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-4-phenylcarbazole
CID 169059387
9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168769775
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-tetradeuterio-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113356
9-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 172516347
1,2,3,4-tetradeuterio-9-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113600
9-[4-[4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-2-[4-dibenzofuran-1-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole;9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 163572331
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
4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 168769715

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The IUPAC name of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 168770621) is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole.
What is the SMILES notation for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The canonical SMILES for 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2cccc3oc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c23)c([2H])c1[2H].
What is the InChIKey of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
The InChIKey is FPMHQOPSVOFTOB-KTZHZIRUSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-15-29(16-5-1)32-22-12-25-36-40(32)33-21-10-11-24-35(33)49(36)37-26-14-28-39-42(37)41-34(23-13-27-38(41)50-39)45-47-43(30-17-6-2-7-18-30)46-44(48-45)31-19-8-3-9-20-31/h1-28H/i1D,4D,5D,15D,16D.
What are the key properties of 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole?
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 645.78 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 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 168770621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).