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

C59H42N4 — CID 159546034

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C59H42N4/c1-41-34-37-55-53(38-41)50-32-17-18-33-54(50)63(55)49-35-36-51(58-61-56(42-20-7-2-8-21-42)60-57(62-58)43-22-9-3-10-23-43)52(40-49)44-24-19-31-48(39-44)59(45-25-11-4-12-26-45,46-27-13-5-14-28-46)47-29-15-6-16-30-47/h2-40H,1H3
InChIKeyAAWDRLYOKFBRJE-UHFFFAOYSA-N
MW807.01 g/mol
LogP14.33
Rot. Bonds9

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole (PubChem CID 159546034) has the molecular formula C59H42N4 and a molecular weight of 807.01 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole
PubChem CID159546034
Molecular FormulaC59H42N4
Molecular Weight807.01 g/mol
Exact Mass806.34
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C59H42N4/c1-41-34-37-55-53(38-41)50-32-17-18-33-54(50)63(55)49-35-36-51(58-61-56(42-20-7-2-8-21-42)60-57(62-58)43-22-9-3-10-23-43)52(40-49)44-24-19-31-48(39-44)59(45-25-11-4-12-26-45,46-27-13-5-14-28-46)47-29-15-6-16-30-47/h2-40H,1H3
InChIKeyAAWDRLYOKFBRJE-UHFFFAOYSA-N
XLogP14.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
CID 147974428
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509810
3-[2-[4-[2-(3-cyanophenyl)-5-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 154950457
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)carbazole
CID 138486456
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3,6-dimethylcarbazole;ethane
CID 142555822
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-fluorophenyl)phenyl]carbazole
CID 138549741
[4-[5-(3,6-dimethylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylgermane
CID 160852367
[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
CID 159510223
2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 170097956

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole (CID 159546034) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole?
The InChIKey is AAWDRLYOKFBRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H42N4/c1-41-34-37-55-53(38-41)50-32-17-18-33-54(50)63(55)49-35-36-51(58-61-56(42-20-7-2-8-21-42)60-57(62-58)43-22-9-3-10-23-43)52(40-49)44-24-19-31-48(39-44)59(45-25-11-4-12-26-45,46-27-13-5-14-28-46)47-29-15-6-16-30-47/h2-40H,1H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole has a molecular weight of 807.01 g/mol, XLogP of 14.33, 9 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)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole is sourced from PubChem (CID 159546034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).