2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole

C57H37N5 — CID 146280483

IUPAC2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C57H37N5/c1-5-19-38(20-6-1)48-35-42(57-59-55(40-23-9-3-10-24-40)58-56(60-57)41-25-11-4-12-26-41)36-49(39-21-7-2-8-22-39)54(48)62-52-32-18-15-29-46(52)47-34-33-43(37-53(47)62)61-50-30-16-13-27-44(50)45-28-14-17-31-51(45)61/h1-37H
InChIKeyASNFXFNBMKIHAZ-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

About 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole

2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole (PubChem CID 146280483) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
PubChem CID146280483
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C57H37N5/c1-5-19-38(20-6-1)48-35-42(57-59-55(40-23-9-3-10-24-40)58-56(60-57)41-25-11-4-12-26-41)36-49(39-21-7-2-8-22-39)54(48)62-52-32-18-15-29-46(52)47-34-33-43(37-53(47)62)61-50-30-16-13-27-44(50)45-28-14-17-31-51(45)61/h1-37H
InChIKeyASNFXFNBMKIHAZ-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

2,7-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280653
2,6-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole
CID 146280663
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 170111581
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-6-(2,4,6-trimethylphenyl)carbazole
CID 146281302
11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole
CID 146280406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-(3-phenylphenyl)carbazole
CID 167381390
3-carbazol-9-yl-9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280568
2-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280524
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-5-phenylcarbazole
CID 146280519
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
6-tert-butyl-2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole;2,7-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 162013104

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole (CID 146280483) is 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c(-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole?
The InChIKey is ASNFXFNBMKIHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-5-19-38(20-6-1)48-35-42(57-59-55(40-23-9-3-10-24-40)58-56(60-57)41-25-11-4-12-26-41)36-49(39-21-7-2-8-22-39)54(48)62-52-32-18-15-29-46(52)47-34-33-43(37-53(47)62)61-50-30-16-13-27-44(50)45-28-14-17-31-51(45)61/h1-37H.
What are the key properties of 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole?
2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole 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 2-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole is sourced from PubChem (CID 146280483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).