[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane

C69H46GeN4S — CID 172500167

IUPAC[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)nc(-c4cccc([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C69H46GeN4S/c1-5-22-47(23-6-1)48-42-43-61(64(46-48)74-62-39-16-13-34-57(62)58-35-14-17-40-63(58)74)69-72-67(50-25-19-24-49(44-50)56-37-21-38-60-59-36-15-18-41-65(59)75-66(56)60)71-68(73-69)51-26-20-33-55(45-51)70(52-27-7-2-8-28-52,53-29-9-3-10-30-53)54-31-11-4-12-32-54/h1-46H
InChIKeyIGKWETRGUITSLL-UHFFFAOYSA-N
MW1035.83 g/mol
LogP15.05
Rot. Bonds10

About [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane

[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane (PubChem CID 172500167) has the molecular formula C69H46GeN4S and a molecular weight of 1035.83 g/mol. Its IUPAC name is [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane.

Molecular Properties

Compound Name[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane
PubChem CID172500167
Molecular FormulaC69H46GeN4S
Molecular Weight1035.83 g/mol
Exact Mass1036.27
IUPAC Name[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)nc(-c4cccc([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C69H46GeN4S/c1-5-22-47(23-6-1)48-42-43-61(64(46-48)74-62-39-16-13-34-57(62)58-35-14-17-40-63(58)74)69-72-67(50-25-19-24-49(44-50)56-37-21-38-60-59-36-15-18-41-65(59)75-66(56)60)71-68(73-69)51-26-20-33-55(45-51)70(52-27-7-2-8-28-52,53-29-9-3-10-30-53)54-31-11-4-12-32-54/h1-46H
InChIKeyIGKWETRGUITSLL-UHFFFAOYSA-N
XLogP15.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.83
LogP ≤ 515.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500254
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500039
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]-2-phenylcarbazole
CID 172500015
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]-4,5-diphenylcarbazole
CID 172500199
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
9-[5-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500190
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
9-[4-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]carbazole
CID 168831689
9-[5-[4-(4-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500359
9-[5-[4-(3-dibenzothiophen-4-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 172500204
9-[2-[4-[3-(7-isocyanodibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500455
9-[2-[4-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500143

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane?
The IUPAC name of [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane (CID 172500167) is [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane.
What is the SMILES notation for [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane?
The canonical SMILES for [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)nc(-c4cccc([Ge](c5ccccc5)(c5ccccc5)c5ccccc5)c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane?
The InChIKey is IGKWETRGUITSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46GeN4S/c1-5-22-47(23-6-1)48-42-43-61(64(46-48)74-62-39-16-13-34-57(62)58-35-14-17-40-63(58)74)69-72-67(50-25-19-24-49(44-50)56-37-21-38-60-59-36-15-18-41-65(59)75-66(56)60)71-68(73-69)51-26-20-33-55(45-51)70(52-27-7-2-8-28-52,53-29-9-3-10-30-53)54-31-11-4-12-32-54/h1-46H.
What are the key properties of [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane?
[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane has a molecular weight of 1035.83 g/mol, XLogP of 15.05, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-(3-dibenzothiophen-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane is sourced from PubChem (CID 172500167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).