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

C57H37N5 — CID 71287197

IUPAC2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc43)c2)cc1
InChIInChI=1S/C57H37N5/c1-4-16-38(17-5-1)41-22-14-24-45(34-41)62-51-28-12-10-26-47(51)49-32-30-43(37-54(49)62)42-31-33-53-50(36-42)48-27-11-13-29-52(48)61(53)46-25-15-23-44(35-46)57-59-55(39-18-6-2-7-19-39)58-56(60-57)40-20-8-3-9-21-40/h1-37H
InChIKeyNNAOZDDSNGCURV-UHFFFAOYSA-N
MW791.96 g/mol
LogP14.40
Rot. Bonds7

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

2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 71287197) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
PubChem CID71287197
Molecular FormulaC57H37N5
Molecular Weight791.96 g/mol
Exact Mass791.30
IUPAC Name2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc43)c2)cc1
InChIInChI=1S/C57H37N5/c1-4-16-38(17-5-1)41-22-14-24-45(34-41)62-51-28-12-10-26-47(51)49-32-30-43(37-54(49)62)42-31-33-53-50(36-42)48-27-11-13-29-52(48)61(53)46-25-15-23-44(35-46)57-59-55(39-18-6-2-7-19-39)58-56(60-57)40-20-8-3-9-21-40/h1-37H
InChIKeyNNAOZDDSNGCURV-UHFFFAOYSA-N
XLogP14.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.96
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160597833
9-[3-(4-phenylphenyl)phenyl]-2-[4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087271
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 58511626
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912
3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 144597221
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179596
dimethyl(phosphanyl)phosphane;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 161346408
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236829
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole (CID 71287197) is 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc43)c2)cc1.
What is the InChIKey of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
The InChIKey is NNAOZDDSNGCURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-4-16-38(17-5-1)41-22-14-24-45(34-41)62-51-28-12-10-26-47(51)49-32-30-43(37-54(49)62)42-31-33-53-50(36-42)48-27-11-13-29-52(48)61(53)46-25-15-23-44(35-46)57-59-55(39-18-6-2-7-19-39)58-56(60-57)40-20-8-3-9-21-40/h1-37H.
What are the key properties of 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole?
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 71287197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).