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

C45H28N4O — CID 168769715

IUPAC4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)n2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-40-37(28-32)34-22-12-23-36(42(34)50-40)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-38-24-11-10-20-35(38)41-33(21-13-25-39(41)49)30-16-6-2-7-17-30/h1-28H/i2D,6D,7D,16D,17D
InChIKeyRZHSSWSPKUSLHW-ROBRBGAESA-N
MW645.78 g/mol
LogP11.54
Rot. Bonds5

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

4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 168769715) 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-4-yl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
PubChem CID168769715
Molecular FormulaC45H28N4O
Molecular Weight645.78 g/mol
Exact Mass645.26
IUPAC Name4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)n2)c([2H])c1[2H]
InChIInChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-40-37(28-32)34-22-12-23-36(42(34)50-40)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-38-24-11-10-20-35(38)41-33(21-13-25-39(41)49)30-16-6-2-7-17-30/h1-28H/i2D,6D,7D,16D,17D
InChIKeyRZHSSWSPKUSLHW-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

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Related Compounds

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-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 160965442
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
2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 168770647
4-phenyl-9-[4-phenyl-6-(7-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 166952410
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 177268193
2-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 168769980
9-[4-phenyl-6-[4-[3-(6-phenyldibenzofuran-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155445919
2-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 168769976
2-[6-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168770038
2-dibenzofuran-4-yl-4-[8-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 140946634
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 165165809

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-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-4-yl)-1,3,5-triazin-2-yl]carbazole (CID 168769715) is 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-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-4-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-4-yl)-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c(-c2cccc3c2c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3ccc(-c5ccccc5)cc34)n2)c([2H])c1[2H].
What is the InChIKey of 4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is RZHSSWSPKUSLHW-ROBRBGAESA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-14-29(15-5-1)32-26-27-40-37(28-32)34-22-12-23-36(42(34)50-40)44-46-43(31-18-8-3-9-19-31)47-45(48-44)49-38-24-11-10-20-35(38)41-33(21-13-25-39(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-4-yl)-1,3,5-triazin-2-yl]carbazole?
4-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(8-phenyldibenzofuran-4-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-4-yl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 168769715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).