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

C81H50N8 — CID 121401498

IUPAC9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C81H50N8/c1-3-27-51(28-4-1)79-82-80(52-29-5-2-6-30-52)84-81(83-79)73-74(85-63-41-17-7-31-53(63)54-32-8-18-42-64(54)85)76(87-67-45-21-11-35-57(67)58-36-12-22-46-68(58)87)78(89-71-49-25-15-39-61(71)62-40-16-26-50-72(62)89)77(88-69-47-23-13-37-59(69)60-38-14-24-48-70(60)88)75(73)86-65-43-19-9-33-55(65)56-34-10-20-44-66(56)86/h1-50H
InChIKeyPNXSZQZWWMZVEW-UHFFFAOYSA-N
MW1135.35 g/mol
LogP20.36
Rot. Bonds8

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

9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 121401498) has the molecular formula C81H50N8 and a molecular weight of 1135.35 g/mol. Its IUPAC name is 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID121401498
Molecular FormulaC81H50N8
Molecular Weight1135.35 g/mol
Exact Mass1134.42
IUPAC Name9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C81H50N8/c1-3-27-51(28-4-1)79-82-80(52-29-5-2-6-30-52)84-81(83-79)73-74(85-63-41-17-7-31-53(63)54-32-8-18-42-64(54)85)76(87-67-45-21-11-35-57(67)58-36-12-22-46-68(58)87)78(89-71-49-25-15-39-61(71)62-40-16-26-50-72(62)89)77(88-69-47-23-13-37-59(69)60-38-14-24-48-70(60)88)75(73)86-65-43-19-9-33-55(65)56-34-10-20-44-66(56)86/h1-50H
InChIKeyPNXSZQZWWMZVEW-UHFFFAOYSA-N
XLogP20.36
TPSA63.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.35
LogP ≤ 520.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 121401498) is 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is PNXSZQZWWMZVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H50N8/c1-3-27-51(28-4-1)79-82-80(52-29-5-2-6-30-52)84-81(83-79)73-74(85-63-41-17-7-31-53(63)54-32-8-18-42-64(54)85)76(87-67-45-21-11-35-57(67)58-36-12-22-46-68(58)87)78(89-71-49-25-15-39-61(71)62-40-16-26-50-72(62)89)77(88-69-47-23-13-37-59(69)60-38-14-24-48-70(60)88)75(73)86-65-43-19-9-33-55(65)56-34-10-20-44-66(56)86/h1-50H.
What are the key properties of 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole?
9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 1135.35 g/mol, XLogP of 20.36, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,3,4,5-tetra(carbazol-9-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 121401498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).