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

C58H42GeN4 — CID 147974428

IUPAC[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C58H42GeN4/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
InChIKeyIRZSSFHNUQFVQC-UHFFFAOYSA-N
MW867.61 g/mol
LogP11.32
Rot. Bonds9

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

[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane (PubChem CID 147974428) has the molecular formula C58H42GeN4 and a molecular weight of 867.61 g/mol. Its IUPAC name is [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane.

Molecular Properties

Compound Name[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
PubChem CID147974428
Molecular FormulaC58H42GeN4
Molecular Weight867.61 g/mol
Exact Mass868.26
IUPAC Name[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
SMILESCc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1
InChIInChI=1S/C58H42GeN4/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
InChIKeyIRZSSFHNUQFVQC-UHFFFAOYSA-N
XLogP11.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.61
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-tritylphenyl)phenyl]-3-methylcarbazole
CID 159546034
[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
CID 158572406
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-fluorophenyl)phenyl]-3,6-dimethylcarbazole;ethane
CID 142555822
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-dimethylphenyl]-3-(3-methylcarbazol-9-yl)carbazole
CID 174181977
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
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(3-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-[2-(4-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole;9-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-3,6-dimethylcarbazole
CID 161152563
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436
3-carbazol-9-yl-6-(3,6-dimethylcarbazol-9-yl)-9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 126730006
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
CID 138578667

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane?
The IUPAC name of [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane (CID 147974428) is [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane.
What is the SMILES notation for [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane?
The canonical SMILES for [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane is Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1.
What is the InChIKey of [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane?
The InChIKey is IRZSSFHNUQFVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42GeN4/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 [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane?
[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane has a molecular weight of 867.61 g/mol, XLogP of 11.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane is sourced from PubChem (CID 147974428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).