5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole

C53H33N5 — CID 134552473

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c43)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)58-47-26-14-12-24-43(47)45-32-38-21-9-10-22-41(38)49(50(45)58)39-28-30-48-44(33-39)42-23-11-13-25-46(42)57(48)40-29-27-34-15-7-8-20-37(34)31-40/h1-33H
InChIKeyMTSULZWZDYKARF-UHFFFAOYSA-N
MW739.88 g/mol
LogP13.37
Rot. Bonds5

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole (PubChem CID 134552473) has the molecular formula C53H33N5 and a molecular weight of 739.88 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole
PubChem CID134552473
Molecular FormulaC53H33N5
Molecular Weight739.88 g/mol
Exact Mass739.27
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c43)n2)cc1
InChIInChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)58-47-26-14-12-24-43(47)45-32-38-21-9-10-22-41(38)49(50(45)58)39-28-30-48-44(33-39)42-23-11-13-25-46(42)57(48)40-29-27-34-15-7-8-20-37(34)31-40/h1-33H
InChIKeyMTSULZWZDYKARF-UHFFFAOYSA-N
XLogP13.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552566
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552606
5-(4-naphthalen-2-ylquinazolin-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552532
3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 157051196
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
6-(9-naphthalen-2-ylcarbazol-3-yl)-5-[4-(4-phenylphenyl)quinazolin-2-yl]-1-[4-[4-[3-[5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazol-6-yl]carbazol-9-yl]phenyl]phenyl]benzo[b]carbazole
CID 134556124
8-benzo[b]carbazol-5-yl-5-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477392
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
5-(2,6-diphenylpyrimidin-4-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552483
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole (CID 134552473) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c43)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole?
The InChIKey is MTSULZWZDYKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N5/c1-3-16-35(17-4-1)51-54-52(36-18-5-2-6-19-36)56-53(55-51)58-47-26-14-12-24-43(47)45-32-38-21-9-10-22-41(38)49(50(45)58)39-28-30-48-44(33-39)42-23-11-13-25-46(42)57(48)40-29-27-34-15-7-8-20-37(34)31-40/h1-33H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole has a molecular weight of 739.88 g/mol, XLogP of 13.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-naphthalen-2-ylcarbazol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 134552473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).