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

C57H38N4 — CID 176747112

IUPAC1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c32)c([2H])c1[2H]
InChIInChI=1S/C57H38N4/c1-5-17-39(18-6-1)41-31-33-44(34-32-41)55-58-56(46-26-15-25-45(37-46)40-19-7-2-8-20-40)60-57(59-55)47-35-36-53(51(38-47)43-23-11-4-12-24-43)61-52-30-14-13-27-49(52)50-29-16-28-48(54(50)61)42-21-9-3-10-22-42/h1-38H/i3D,4D,9D,10D,11D,12D,13D,14D,16D,21D,22D,23D,24D,27D,28D,29D,30D
InChIKeyZNGZUEIAPQJGPG-XKMPARAJSA-N
MW796.06 g/mol
LogP14.64
Rot. Bonds8

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

1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 176747112) has the molecular formula C57H38N4 and a molecular weight of 796.06 g/mol. Its IUPAC name is 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID176747112
Molecular FormulaC57H38N4
Molecular Weight796.06 g/mol
Exact Mass795.42
IUPAC Name1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c32)c([2H])c1[2H]
InChIInChI=1S/C57H38N4/c1-5-17-39(18-6-1)41-31-33-44(34-32-41)55-58-56(46-26-15-25-45(37-46)40-19-7-2-8-20-40)60-57(59-55)47-35-36-53(51(38-47)43-23-11-4-12-24-43)61-52-30-14-13-27-49(52)50-29-16-28-48(54(50)61)42-21-9-3-10-22-42/h1-38H/i3D,4D,9D,10D,11D,12D,13D,14D,16D,21D,22D,23D,24D,27D,28D,29D,30D
InChIKeyZNGZUEIAPQJGPG-XKMPARAJSA-N
XLogP14.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.06
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1,2,3,4,5,6,7-heptadeuterio-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-8-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176747132
1,2,3,4,5,6,8-heptadeuterio-9-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 176849795
1,2,3,4,5,6,8-heptadeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 176849641
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 177267921
1,2,3,4,5,6,7-heptadeuterio-9-(2,3,4,5,6-pentadeuteriophenyl)-8-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 172519932
1,2,3,4-tetradeuterio-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113607
1,2,3,4-tetradeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177113402
1,2,3,4,5,7,8-heptadeuterio-9-[4-(3,5-diphenylphenyl)-2-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 176849559
1,2,3,4-tetradeuterio-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-8-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 177113447
1,2,3,4-tetradeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 177113527
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
1,2,3,4,5,6,8-heptadeuterio-9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-7-phenylcarbazole
CID 176747153

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 176747112) is 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is [2H]c1c([2H])c([2H])c(-c2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c32)c([2H])c1[2H].
What is the InChIKey of 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is ZNGZUEIAPQJGPG-XKMPARAJSA-N. The full InChI is InChI=1S/C57H38N4/c1-5-17-39(18-6-1)41-31-33-44(34-32-41)55-58-56(46-26-15-25-45(37-46)40-19-7-2-8-20-40)60-57(59-55)47-35-36-53(51(38-47)43-23-11-4-12-24-43)61-52-30-14-13-27-49(52)50-29-16-28-48(54(50)61)42-21-9-3-10-22-42/h1-38H/i3D,4D,9D,10D,11D,12D,13D,14D,16D,21D,22D,23D,24D,27D,28D,29D,30D.
What are the key properties of 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 796.06 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7-heptadeuterio-8-(2,3,4,5,6-pentadeuteriophenyl)-9-[2-(2,3,4,5,6-pentadeuteriophenyl)-4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 176747112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).