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

C57H38N4 — CID 155087301

IUPAC9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccc(-c7ccccc7)cc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c4)n3)cc2)cc1
InChIInChI=1S/C57H38N4/c1-6-16-39(17-7-1)43-26-28-45(29-27-43)56-58-55(44-24-14-5-15-25-44)59-57(60-56)47-31-33-52-51-32-30-46(40-18-8-2-9-19-40)37-53(51)61(54(52)38-47)50-35-48(41-20-10-3-11-21-41)34-49(36-50)42-22-12-4-13-23-42/h1-38H
InChIKeyIKNYISBQXLNCMR-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.64
Rot. Bonds8

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

9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 155087301) has the molecular formula C57H38N4 and a molecular weight of 778.96 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID155087301
Molecular FormulaC57H38N4
Molecular Weight778.96 g/mol
Exact Mass778.31
IUPAC Name9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccc(-c7ccccc7)cc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c4)n3)cc2)cc1
InChIInChI=1S/C57H38N4/c1-6-16-39(17-7-1)43-26-28-45(29-27-43)56-58-55(44-24-14-5-15-25-44)59-57(60-56)47-31-33-52-51-32-30-46(40-18-8-2-9-19-40)37-53(51)61(54(52)38-47)50-35-48(41-20-10-3-11-21-41)34-49(36-50)42-22-12-4-13-23-42/h1-38H
InChIKeyIKNYISBQXLNCMR-UHFFFAOYSA-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 ≤ 500778.96
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287146
2-phenyl-9-(3-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087458
2,7-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 88878761
2-phenyl-9-(4-phenylphenyl)-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087454
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 71287167
9-[3-[3-[4-[3-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-5-phenylphenyl]carbazole
CID 139303922
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087328
6-(4-phenylphenyl)-9-[4-(4-phenylphenyl)phenyl]-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155087253
2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 71286955

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 155087301) is 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6ccc(-c7ccccc7)cc6n(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5c4)n3)cc2)cc1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is IKNYISBQXLNCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N4/c1-6-16-39(17-7-1)43-26-28-45(29-27-43)56-58-55(44-24-14-5-15-25-44)59-57(60-56)47-31-33-52-51-32-30-46(40-18-8-2-9-19-40)37-53(51)61(54(52)38-47)50-35-48(41-20-10-3-11-21-41)34-49(36-50)42-22-12-4-13-23-42/h1-38H.
What are the key properties of 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole?
9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 778.96 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 9-(3,5-diphenylphenyl)-2-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 155087301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).