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

C51H34N4 — CID 170539165

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)c4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4c3)c2)cc1
InChIInChI=1S/C51H34N4/c1-5-16-35(17-6-1)40-24-15-25-41(32-40)42-33-45(36-18-7-2-8-19-36)48-44-26-13-14-27-46(44)55(47(48)34-42)43-30-28-39(29-31-43)51-53-49(37-20-9-3-10-21-37)52-50(54-51)38-22-11-4-12-23-38/h1-34H
InChIKeyQOCJDGJTWJCNOE-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole (PubChem CID 170539165) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
PubChem CID170539165
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)c4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4c3)c2)cc1
InChIInChI=1S/C51H34N4/c1-5-16-35(17-6-1)40-24-15-25-41(32-40)42-33-45(36-18-7-2-8-19-36)48-44-26-13-14-27-46(44)55(47(48)34-42)43-30-28-39(29-31-43)51-53-49(37-20-9-3-10-21-37)52-50(54-51)38-22-11-4-12-23-38/h1-34H
InChIKeyQOCJDGJTWJCNOE-UHFFFAOYSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087478
4-phenyl-2-(3-phenylphenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170539134
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 162775169
2,4-diphenyl-9-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 155203330
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,6,9-triphenylcarbazole
CID 118299164
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
9-[4-[4-[3-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 158533687
9-(3,5-diphenylphenyl)-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;9-phenanthren-9-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;4-phenyl-9-[3-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;4-phenyl-9-[3-(4-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-triphenylen-2-ylcarbazole
CID 159098850
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
2,9-diphenyl-4-[2-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 171438033
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole
CID 155203348
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole (CID 170539165) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3cc(-c4ccccc4)c4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c4c3)c2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole?
The InChIKey is QOCJDGJTWJCNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-5-16-35(17-6-1)40-24-15-25-41(32-40)42-33-45(36-18-7-2-8-19-36)48-44-26-13-14-27-46(44)55(47(48)34-42)43-30-28-39(29-31-43)51-53-49(37-20-9-3-10-21-37)52-50(54-51)38-22-11-4-12-23-38/h1-34H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole is sourced from PubChem (CID 170539165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).