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

C58H37N9 — CID 167168656

IUPAC9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-n3c4ccc(-c5ccccn5)cc4c4cc(-c5ccccn5)ccc43)n2)cc1
InChIInChI=1S/C58H37N9/c1-5-18-38(19-6-1)53-61-54(39-20-7-2-8-21-39)64-57(63-53)44-26-17-27-45(58-65-55(40-22-9-3-10-23-40)62-56(66-58)41-24-11-4-12-25-41)52(44)67-50-32-30-42(48-28-13-15-34-59-48)36-46(50)47-37-43(31-33-51(47)67)49-29-14-16-35-60-49/h1-37H
InChIKeyZEFSVJPTFJQUGW-UHFFFAOYSA-N
MW860.00 g/mol
LogP13.28
Rot. Bonds9

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

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole (PubChem CID 167168656) has the molecular formula C58H37N9 and a molecular weight of 860.00 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole.

Molecular Properties

Compound Name9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
PubChem CID167168656
Molecular FormulaC58H37N9
Molecular Weight860.00 g/mol
Exact Mass859.32
IUPAC Name9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-n3c4ccc(-c5ccccn5)cc4c4cc(-c5ccccn5)ccc43)n2)cc1
InChIInChI=1S/C58H37N9/c1-5-18-38(19-6-1)53-61-54(39-20-7-2-8-21-39)64-57(63-53)44-26-17-27-45(58-65-55(40-22-9-3-10-23-40)62-56(66-58)41-24-11-4-12-25-41)52(44)67-50-32-30-42(48-28-13-15-34-59-48)36-46(50)47-37-43(31-33-51(47)67)49-29-14-16-35-60-49/h1-37H
InChIKeyZEFSVJPTFJQUGW-UHFFFAOYSA-N
XLogP13.28
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.00
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578744
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578511
3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]carbazole
CID 138578488
9-[2,6-diphenyl-4-(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 169056520
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 167168647
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
9-(6-methyl-2-pyridinyl)-3,6-bis(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)carbazole
CID 58556118
12,30-ditert-butyl-20,20,22,22-tetramethyl-43-phenyl-6,36-dipyridin-2-yl-8,34,42,44,45-pentazadecacyclo[39.3.1.115,19.123,27.02,7.08,16.09,14.026,34.028,33.035,40]heptatetraconta-1(45),2,4,6,9(14),10,12,15,17,19(47),23(46),24,26,28(33),29,31,35,37,39,41,43-henicosaene
CID 167100876
3,6-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-2-ylphenyl]carbazole
CID 138578581
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-pyridin-2-ylphenyl]-3-(2-methylphenyl)carbazole
CID 142597624
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;ethane;sulfane
CID 143865156

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole?
The IUPAC name of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole (CID 167168656) is 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole.
What is the SMILES notation for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole?
The canonical SMILES for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3-n3c4ccc(-c5ccccn5)cc4c4cc(-c5ccccn5)ccc43)n2)cc1.
What is the InChIKey of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole?
The InChIKey is ZEFSVJPTFJQUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N9/c1-5-18-38(19-6-1)53-61-54(39-20-7-2-8-21-39)64-57(63-53)44-26-17-27-45(58-65-55(40-22-9-3-10-23-40)62-56(66-58)41-24-11-4-12-25-41)52(44)67-50-32-30-42(48-28-13-15-34-59-48)36-46(50)47-37-43(31-33-51(47)67)49-29-14-16-35-60-49/h1-37H.
What are the key properties of 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole?
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole has a molecular weight of 860.00 g/mol, XLogP of 13.28, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dipyridin-2-ylcarbazole is sourced from PubChem (CID 167168656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).