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

C79H49N9 — CID 126582844

IUPAC9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccnc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)n4)cc(-c4cccc5c4c4ccccc4n5-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc2)cc1
InChIInChI=1S/C79H49N9/c1-3-20-50(21-4-1)52-38-40-53(41-39-52)55-46-56(48-57(47-55)66-44-45-80-76(81-66)88-71-35-17-11-28-63(71)64-43-42-54(49-74(64)88)51-22-5-2-6-23-51)58-30-19-37-73-75(58)65-29-12-18-36-72(65)87(73)79-83-77(85-67-31-13-7-24-59(67)60-25-8-14-32-68(60)85)82-78(84-79)86-69-33-15-9-26-61(69)62-27-10-16-34-70(62)86/h1-49H
InChIKeyNCRJUQMQRJSJQB-UHFFFAOYSA-N
MW1124.32 g/mol
LogP19.39
Rot. Bonds9

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

9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole (PubChem CID 126582844) has the molecular formula C79H49N9 and a molecular weight of 1124.32 g/mol. Its IUPAC name is 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
PubChem CID126582844
Molecular FormulaC79H49N9
Molecular Weight1124.32 g/mol
Exact Mass1123.41
IUPAC Name9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccnc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)n4)cc(-c4cccc5c4c4ccccc4n5-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc2)cc1
InChIInChI=1S/C79H49N9/c1-3-20-50(21-4-1)52-38-40-53(41-39-52)55-46-56(48-57(47-55)66-44-45-80-76(81-66)88-71-35-17-11-28-63(71)64-43-42-54(49-74(64)88)51-22-5-2-6-23-51)58-30-19-37-73-75(58)65-29-12-18-36-72(65)87(73)79-83-77(85-67-31-13-7-24-59(67)60-25-8-14-32-68(60)85)82-78(84-79)86-69-33-15-9-26-61(69)62-27-10-16-34-70(62)86/h1-49H
InChIKeyNCRJUQMQRJSJQB-UHFFFAOYSA-N
XLogP19.39
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.32
LogP ≤ 519.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole with MolForge

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
11-phenyl-5-[4-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 71235139
2,5-bis[9-[4-(3-phenylphenyl)pyrimidin-2-yl]carbazol-2-yl]-1,3,4-thiadiazole
CID 122594001
9-[4-carbazol-9-yl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742480
5,9-diphenyl-7-[4-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 90269657
9-[4-(3-dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-2,7-diphenylcarbazole
CID 118133186
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118083964
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
9-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-2-phenylcarbazole
CID 118133174
9-[4-carbazol-9-yl-6-(3-dibenzofuran-1-ylphenyl)-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163941415
4-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 118231228
9-[4-carbazol-9-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742506

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole (CID 126582844) is 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccnc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)n4)cc(-c4cccc5c4c4ccccc4n5-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)c3)cc2)cc1.
What is the InChIKey of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole?
The InChIKey is NCRJUQMQRJSJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H49N9/c1-3-20-50(21-4-1)52-38-40-53(41-39-52)55-46-56(48-57(47-55)66-44-45-80-76(81-66)88-71-35-17-11-28-63(71)64-43-42-54(49-74(64)88)51-22-5-2-6-23-51)58-30-19-37-73-75(58)65-29-12-18-36-72(65)87(73)79-83-77(85-67-31-13-7-24-59(67)60-25-8-14-32-68(60)85)82-78(84-79)86-69-33-15-9-26-61(69)62-27-10-16-34-70(62)86/h1-49H.
What are the key properties of 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole?
9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole has a molecular weight of 1124.32 g/mol, XLogP of 19.39, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3-[2-(2-phenylcarbazol-9-yl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 126582844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).