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

C57H36N6 — CID 118424868

IUPAC9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C57H36N6/c1-3-19-37(20-4-1)55-58-56(38-21-5-2-6-22-38)60-57(59-55)39-35-52(61-46-29-13-7-23-40(46)41-24-8-14-30-47(41)61)54(63-50-33-17-11-27-44(50)45-28-12-18-34-51(45)63)53(36-39)62-48-31-15-9-25-42(48)43-26-10-16-32-49(43)62/h1-36H
InChIKeyAYCRBESYKFOFRH-UHFFFAOYSA-N
MW804.96 g/mol
LogP14.16
Rot. Bonds6

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

9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 118424868) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID118424868
Molecular FormulaC57H36N6
Molecular Weight804.96 g/mol
Exact Mass804.30
IUPAC Name9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1
InChIInChI=1S/C57H36N6/c1-3-19-37(20-4-1)55-58-56(38-21-5-2-6-22-38)60-57(59-55)39-35-52(61-46-29-13-7-23-40(46)41-24-8-14-30-47(41)61)54(63-50-33-17-11-27-44(50)45-28-12-18-34-51(45)63)53(36-39)62-48-31-15-9-25-42(48)43-26-10-16-32-49(43)62/h1-36H
InChIKeyAYCRBESYKFOFRH-UHFFFAOYSA-N
XLogP14.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.96
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 118424868) is 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)n2)cc1.
What is the InChIKey of 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is AYCRBESYKFOFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-3-19-37(20-4-1)55-58-56(38-21-5-2-6-22-38)60-57(59-55)39-35-52(61-46-29-13-7-23-40(46)41-24-8-14-30-47(41)61)54(63-50-33-17-11-27-44(50)45-28-12-18-34-51(45)63)53(36-39)62-48-31-15-9-25-42(48)43-26-10-16-32-49(43)62/h1-36H.
What are the key properties of 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 804.96 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3-di(carbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 118424868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).