5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole

C47H30N4 — CID 155450400

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C47H30N4/c1-4-15-31(16-5-1)36-24-14-25-38-39(47-49-45(32-17-6-2-7-18-32)48-46(50-47)33-19-8-3-9-20-33)27-28-42(44(36)38)51-41-26-13-12-23-37(41)40-29-34-21-10-11-22-35(34)30-43(40)51/h1-30H
InChIKeyXDNWCQZCAXQJDD-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.94
Rot. Bonds5

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole (PubChem CID 155450400) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole
PubChem CID155450400
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C47H30N4/c1-4-15-31(16-5-1)36-24-14-25-38-39(47-49-45(32-17-6-2-7-18-32)48-46(50-47)33-19-8-3-9-20-33)27-28-42(44(36)38)51-41-26-13-12-23-37(41)40-29-34-21-10-11-22-35(34)30-43(40)51/h1-30H
InChIKeyXDNWCQZCAXQJDD-UHFFFAOYSA-N
XLogP11.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 134603616
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603586
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 157483368
5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]benzo[b]carbazole
CID 155450728
5-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;5-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158002184
9-benzo[b]carbazol-5-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole;10-benzo[b]carbazol-5-yl-5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 158803382
5-[2-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109616
5-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621268
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-5-(2-phenylphenyl)phenyl]benzo[b]carbazole
CID 155450391
5-[2-dibenzothiophen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155475233
11-carbazol-9-yl-5-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155477254

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole (CID 155450400) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)c4c(-c5ccccc5)cccc34)n2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole?
The InChIKey is XDNWCQZCAXQJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-4-15-31(16-5-1)36-24-14-25-38-39(47-49-45(32-17-6-2-7-18-32)48-46(50-47)33-19-8-3-9-20-33)27-28-42(44(36)38)51-41-26-13-12-23-37(41)40-29-34-21-10-11-22-35(34)30-43(40)51/h1-30H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole has a molecular weight of 650.79 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenylnaphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155450400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).