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

C87H55N7 — CID 137369037

IUPAC3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(-c4ccccc4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C87H55N7/c1-6-28-56(29-7-1)79-80(59-50-52-77-69(54-59)67-42-20-22-44-71(67)91(77)61-34-12-4-13-35-61)83(93-73-46-24-16-38-63(73)64-39-17-25-47-74(64)93)82(87-89-85(57-30-8-2-9-31-57)88-86(90-87)58-32-10-3-11-33-58)84(94-75-48-26-18-40-65(75)66-41-19-27-49-76(66)94)81(79)60-51-53-78-70(55-60)68-43-21-23-45-72(68)92(78)62-36-14-5-15-37-62/h1-55H
InChIKeyRGKBQZUQNAZJLI-UHFFFAOYSA-N
MW1198.45 g/mol
LogP22.26
Rot. Bonds10

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

3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole (PubChem CID 137369037) has the molecular formula C87H55N7 and a molecular weight of 1198.45 g/mol. Its IUPAC name is 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
PubChem CID137369037
Molecular FormulaC87H55N7
Molecular Weight1198.45 g/mol
Exact Mass1197.45
IUPAC Name3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(-c4ccccc4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C87H55N7/c1-6-28-56(29-7-1)79-80(59-50-52-77-69(54-59)67-42-20-22-44-71(67)91(77)61-34-12-4-13-35-61)83(93-73-46-24-16-38-63(73)64-39-17-25-47-74(64)93)82(87-89-85(57-30-8-2-9-31-57)88-86(90-87)58-32-10-3-11-33-58)84(94-75-48-26-18-40-65(75)66-41-19-27-49-76(66)94)81(79)60-51-53-78-70(55-60)68-43-21-23-45-72(68)92(78)62-36-14-5-15-37-62/h1-55H
InChIKeyRGKBQZUQNAZJLI-UHFFFAOYSA-N
XLogP22.26
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001198.45
LogP ≤ 522.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 155138272
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 155138334
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-phenyl-3-[10-[4-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]anthracen-9-yl]carbazole
CID 164843390
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
CID 89408652

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole (CID 137369037) is 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-n4c5ccccc5c5ccccc54)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c(-c4ccccc4)c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The InChIKey is RGKBQZUQNAZJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H55N7/c1-6-28-56(29-7-1)79-80(59-50-52-77-69(54-59)67-42-20-22-44-71(67)91(77)61-34-12-4-13-35-61)83(93-73-46-24-16-38-63(73)64-39-17-25-47-74(64)93)82(87-89-85(57-30-8-2-9-31-57)88-86(90-87)58-32-10-3-11-33-58)84(94-75-48-26-18-40-65(75)66-41-19-27-49-76(66)94)81(79)60-51-53-78-70(55-60)68-43-21-23-45-72(68)92(78)62-36-14-5-15-37-62/h1-55H.
What are the key properties of 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole has a molecular weight of 1198.45 g/mol, XLogP of 22.26, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-di(carbazol-9-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 137369037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).