2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole

C62H39N7 — CID 167262180

IUPAC2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4)c(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c3)n2)cc1
InChIInChI=1S/C62H39N7/c1-3-15-41(16-4-1)60-64-61(42-17-5-2-6-18-42)66-62(65-60)43-27-30-46(40-33-35-63-36-34-40)57(37-43)69-58-38-44(67-53-23-11-7-19-47(53)48-20-8-12-24-54(48)67)28-31-51(58)52-32-29-45(39-59(52)69)68-55-25-13-9-21-49(55)50-22-10-14-26-56(50)68/h1-39H
InChIKeyWDZSOISCTSGEFG-UHFFFAOYSA-N
MW882.04 g/mol
LogP15.23
Rot. Bonds7

About 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole

2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole (PubChem CID 167262180) has the molecular formula C62H39N7 and a molecular weight of 882.04 g/mol. Its IUPAC name is 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole.

Molecular Properties

Compound Name2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
PubChem CID167262180
Molecular FormulaC62H39N7
Molecular Weight882.04 g/mol
Exact Mass881.33
IUPAC Name2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4)c(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c3)n2)cc1
InChIInChI=1S/C62H39N7/c1-3-15-41(16-4-1)60-64-61(42-17-5-2-6-18-42)66-62(65-60)43-27-30-46(40-33-35-63-36-34-40)57(37-43)69-58-38-44(67-53-23-11-7-19-47(53)48-20-8-12-24-54(48)67)28-31-51(58)52-32-29-45(39-59(52)69)68-55-25-13-9-21-49(55)50-22-10-14-26-56(50)68/h1-39H
InChIKeyWDZSOISCTSGEFG-UHFFFAOYSA-N
XLogP15.23
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 167261829
2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
CID 138578667
5-[2,7-di(carbazol-9-yl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566451
9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
3-[4-[3-(2-carbazol-9-ylcarbazol-9-yl)-4-phenylphenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 170097155
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549500
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402

Frequently Asked Questions

What is the IUPAC name of 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole?
The IUPAC name of 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole (CID 167262180) is 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole.
What is the SMILES notation for 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole?
The canonical SMILES for 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccncc4)c(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c3)n2)cc1.
What is the InChIKey of 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole?
The InChIKey is WDZSOISCTSGEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N7/c1-3-15-41(16-4-1)60-64-61(42-17-5-2-6-18-42)66-62(65-60)43-27-30-46(40-33-35-63-36-34-40)57(37-43)69-58-38-44(67-53-23-11-7-19-47(53)48-20-8-12-24-54(48)67)28-31-51(58)52-32-29-45(39-59(52)69)68-55-25-13-9-21-49(55)50-22-10-14-26-56(50)68/h1-39H.
What are the key properties of 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole?
2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole has a molecular weight of 882.04 g/mol, XLogP of 15.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(carbazol-9-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-4-ylphenyl]carbazole is sourced from PubChem (CID 167262180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).