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

C69H43N7 — CID 137470533

IUPAC4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C69H43N7/c1-4-20-44(21-5-1)67-70-68(75-59-34-16-12-28-53(59)65-49(30-18-36-63(65)75)45-38-40-61-55(42-45)51-26-10-14-32-57(51)73(61)47-22-6-2-7-23-47)72-69(71-67)76-60-35-17-13-29-54(60)66-50(31-19-37-64(66)76)46-39-41-62-56(43-46)52-27-11-15-33-58(52)74(62)48-24-8-3-9-25-48/h1-43H
InChIKeyCADVLCPMPOPCCE-UHFFFAOYSA-N
MW970.15 g/mol
LogP17.26
Rot. Bonds7

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

4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 137470533) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
PubChem CID137470533
Molecular FormulaC69H43N7
Molecular Weight970.15 g/mol
Exact Mass969.36
IUPAC Name4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C69H43N7/c1-4-20-44(21-5-1)67-70-68(75-59-34-16-12-28-53(59)65-49(30-18-36-63(65)75)45-38-40-61-55(42-45)51-26-10-14-32-57(51)73(61)47-22-6-2-7-23-47)72-69(71-67)76-60-35-17-13-29-54(60)66-50(31-19-37-64(66)76)46-39-41-62-56(43-46)52-27-11-15-33-58(52)74(62)48-24-8-3-9-25-48/h1-43H
InChIKeyCADVLCPMPOPCCE-UHFFFAOYSA-N
XLogP17.26
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.15
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
9-[4,6-bis[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 161068654
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 157250623
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236649
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylpyrido[3,4-b]indole;9-phenyl-6-[9-(4-phenylphenyl)carbazol-4-yl]pyrido[3,4-b]indole
CID 161163383
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
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158605707
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 121401468
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-[3,5-di(pyrimidin-2-yl)phenyl]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 158368930
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-4-yl)carbazole
CID 170240277

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole (CID 137470533) is 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)nc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc43)n2)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is CADVLCPMPOPCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7/c1-4-20-44(21-5-1)67-70-68(75-59-34-16-12-28-53(59)65-49(30-18-36-63(65)75)45-38-40-61-55(42-45)51-26-10-14-32-57(51)73(61)47-22-6-2-7-23-47)72-69(71-67)76-60-35-17-13-29-54(60)66-50(31-19-37-64(66)76)46-39-41-62-56(43-46)52-27-11-15-33-58(52)74(62)48-24-8-3-9-25-48/h1-43H.
What are the key properties of 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole?
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 970.15 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 137470533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).