4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole

C45H28N4O — CID 168770347

IUPAC4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccccc6)cc5c34)n2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-39-36(28-32)42-35(22-13-25-40(42)50-39)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-37-23-11-10-20-34(37)41-33(21-12-24-38(41)49)30-16-6-2-7-17-30/h1-28H/i2D,6D,7D,16D,17D
InChIKeyQRIXNRWTSCQVSA-ROBRBGAESA-N
MW645.78 g/mol
LogP11.54
Rot. Bonds5

About 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole

4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 168770347) has the molecular formula C45H28N4O and a molecular weight of 645.78 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID168770347
Molecular FormulaC45H28N4O
Molecular Weight645.78 g/mol
Exact Mass645.26
IUPAC Name4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccccc6)cc5c34)n2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-39-36(28-32)42-35(22-13-25-40(42)50-39)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-37-23-11-10-20-34(37)41-33(21-12-24-38(41)49)30-16-6-2-7-17-30/h1-28H/i2D,6D,7D,16D,17D
InChIKeyQRIXNRWTSCQVSA-ROBRBGAESA-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

Analyze 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 168769715
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
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
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
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
4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 170366972
2-[9-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168769693
9-[4-[7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 168770059
9-(4,6-diphenylpyrimidin-2-yl)-4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 129292130
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
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-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole (CID 168770347) is 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccccc6)cc5c34)n2)c([2H])c1[2H].
What is the InChIKey of 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QRIXNRWTSCQVSA-ROBRBGAESA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-39-36(28-32)42-35(22-13-25-40(42)50-39)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-37-23-11-10-20-34(37)41-33(21-12-24-38(41)49)30-16-6-2-7-17-30/h1-28H/i2D,6D,7D,16D,17D.
What are the key properties of 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole?
4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]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 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 168770347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).