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

C57H37N5 — CID 168742480

IUPAC9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)n4)c3)c2)cc1
InChIInChI=1S/C57H37N5/c1-3-17-38(18-4-1)40-21-15-22-41(35-40)42-23-16-24-44(36-42)45-25-7-8-29-50(45)55-58-56(61-51-30-12-9-26-46(51)47-27-10-13-31-52(47)61)60-57(59-55)62-53-32-14-11-28-48(53)49-34-33-43(37-54(49)62)39-19-5-2-6-20-39/h1-37H
InChIKeyZKQWJAFMTKKGMF-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

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

9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole (PubChem CID 168742480) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
PubChem CID168742480
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)n4)c3)c2)cc1
InChIInChI=1S/C57H37N5/c1-3-17-38(18-4-1)40-21-15-22-41(35-40)42-23-16-24-44(36-42)45-25-7-8-29-50(45)55-58-56(61-51-30-12-9-26-46(51)47-27-10-13-31-52(47)61)60-57(59-55)62-53-32-14-11-28-48(53)49-34-33-43(37-54(49)62)39-19-5-2-6-20-39/h1-37H
InChIKeyZKQWJAFMTKKGMF-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-carbazol-9-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742610
9-[4-carbazol-9-yl-6-[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742695
9-[4-carbazol-9-yl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742616
9-[4-carbazol-9-yl-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742588
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506
9-[4-carbazol-9-yl-6-[3-[2-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742511
9-[4-carbazol-9-yl-6-(2-dibenzothiophen-3-ylphenyl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742494
9-[4-carbazol-9-yl-6-(2-dibenzofuran-2-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163606891
9-[4-carbazol-9-yl-6-[3-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742634
3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236507
9-[3-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylcarbazole
CID 171468732
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778

Frequently Asked Questions

What is the IUPAC name of 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The IUPAC name of 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole (CID 168742480) is 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole is c1ccc(-c2cccc(-c3cccc(-c4ccccc4-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)n4)c3)c2)cc1.
What is the InChIKey of 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
The InChIKey is ZKQWJAFMTKKGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-3-17-38(18-4-1)40-21-15-22-41(35-40)42-23-16-24-44(36-42)45-25-7-8-29-50(45)55-58-56(61-51-30-12-9-26-46(51)47-27-10-13-31-52(47)61)60-57(59-55)62-53-32-14-11-28-48(53)49-34-33-43(37-54(49)62)39-19-5-2-6-20-39/h1-37H.
What are the key properties of 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole?
9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 168742480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).