9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole

C60H38N8 — CID 137421301

IUPAC9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C60H38N8/c1-5-19-39(20-6-1)55-61-56(40-21-7-2-8-22-40)64-59(63-55)43-33-35-54(49(37-43)60-65-57(41-23-9-3-10-24-41)62-58(66-60)42-25-11-4-12-26-42)68-52-32-18-15-29-47(52)48-38-44(34-36-53(48)68)67-50-30-16-13-27-45(50)46-28-14-17-31-51(46)67/h1-38H
InChIKeyBYXOOXWBGGKKIU-UHFFFAOYSA-N
MW871.02 g/mol
LogP14.25
Rot. Bonds8

About 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole

9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole (PubChem CID 137421301) has the molecular formula C60H38N8 and a molecular weight of 871.02 g/mol. Its IUPAC name is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole.

Molecular Properties

Compound Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
PubChem CID137421301
Molecular FormulaC60H38N8
Molecular Weight871.02 g/mol
Exact Mass870.32
IUPAC Name9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C60H38N8/c1-5-19-39(20-6-1)55-61-56(40-21-7-2-8-22-40)64-59(63-55)43-33-35-54(49(37-43)60-65-57(41-23-9-3-10-24-41)62-58(66-60)42-25-11-4-12-26-42)68-52-32-18-15-29-47(52)48-38-44(34-36-53(48)68)67-50-30-16-13-27-45(50)46-28-14-17-31-51(46)67/h1-38H
InChIKeyBYXOOXWBGGKKIU-UHFFFAOYSA-N
XLogP14.25
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.02
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578581
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
3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole
CID 154602990
9-[2-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-4-carbazol-9-ylphenyl]carbazole
CID 148501537
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 137414597
3,6-di(carbazol-9-yl)-9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155232439
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]carbazole
CID 130352928
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole?
The IUPAC name of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole (CID 137421301) is 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole.
What is the SMILES notation for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole?
The canonical SMILES for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole?
The InChIKey is BYXOOXWBGGKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8/c1-5-19-39(20-6-1)55-61-56(40-21-7-2-8-22-40)64-59(63-55)43-33-35-54(49(37-43)60-65-57(41-23-9-3-10-24-41)62-58(66-60)42-25-11-4-12-26-42)68-52-32-18-15-29-47(52)48-38-44(34-36-53(48)68)67-50-30-16-13-27-45(50)46-28-14-17-31-51(46)67/h1-38H.
What are the key properties of 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole?
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole has a molecular weight of 871.02 g/mol, XLogP of 14.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole is sourced from PubChem (CID 137421301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).