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

C39H26N4 — CID 170659119

IUPAC3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
SMILES[2H]c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C39H26N4/c1-4-14-27(15-5-1)30-24-25-33(36(26-30)43-34-22-12-10-20-31(34)32-21-11-13-23-35(32)43)39-41-37(28-16-6-2-7-17-28)40-38(42-39)29-18-8-3-9-19-29/h1-26H/i10D
InChIKeyXXTYCFPUVFHDIG-MMIHMFRQSA-N
MW551.67 g/mol
LogP9.64
Rot. Bonds5

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

3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole (PubChem CID 170659119) has the molecular formula C39H26N4 and a molecular weight of 551.67 g/mol. Its IUPAC name is 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
PubChem CID170659119
Molecular FormulaC39H26N4
Molecular Weight551.67 g/mol
Exact Mass551.22
IUPAC Name3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
SMILES[2H]c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C39H26N4/c1-4-14-27(15-5-1)30-24-25-33(36(26-30)43-34-22-12-10-20-31(34)32-21-11-13-23-35(32)43)39-41-37(28-16-6-2-7-17-28)40-38(42-39)29-18-8-3-9-19-29/h1-26H/i10D
InChIKeyXXTYCFPUVFHDIG-MMIHMFRQSA-N
XLogP9.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.67
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170658615
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 170659106
9-[2-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658651
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[5-phenyl-2-[4-phenyl-6-(2-phenylphenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658641
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
CID 177099854
9-[3-deuterio-5-phenyl-2-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658803
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
1,2,3,4,5,6,7,8-octadeuterio-9-[5-(3,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170658973

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The IUPAC name of 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole (CID 170659119) is 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole.
What is the SMILES notation for 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The canonical SMILES for 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole is [2H]c1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccccc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The InChIKey is XXTYCFPUVFHDIG-MMIHMFRQSA-N. The full InChI is InChI=1S/C39H26N4/c1-4-14-27(15-5-1)30-24-25-33(36(26-30)43-34-22-12-10-20-31(34)32-21-11-13-23-35(32)43)39-41-37(28-16-6-2-7-17-28)40-38(42-39)29-18-8-3-9-19-29/h1-26H/i10D.
What are the key properties of 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole has a molecular weight of 551.67 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole is sourced from PubChem (CID 170659119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).