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

C47H30N4 — CID 166917834

IUPAC9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C47H30N4/c1-2-12-31(13-3-1)33-22-25-35(26-23-33)45-48-46(37-27-24-32-14-4-5-16-36(32)30-37)50-47(49-45)44-38-17-7-6-15-34(38)28-29-43(44)51-41-20-10-8-18-39(41)40-19-9-11-21-42(40)51/h1-30H
InChIKeyQCPJFHDNCYULOY-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.94
Rot. Bonds5

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

9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (PubChem CID 166917834) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.

Molecular Properties

Compound Name9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
PubChem CID166917834
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)n3)cc2)cc1
InChIInChI=1S/C47H30N4/c1-2-12-31(13-3-1)33-22-25-35(26-23-33)45-48-46(37-27-24-32-14-4-5-16-36(32)30-37)50-47(49-45)44-38-17-7-6-15-34(38)28-29-43(44)51-41-20-10-8-18-39(41)40-19-9-11-21-42(40)51/h1-30H
InChIKeyQCPJFHDNCYULOY-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-[1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 166916820
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 146621349
9-[1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 167032751
9-carbazol-9-yl-5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 155477477
9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032255
9-[5-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-(3-phenylphenyl)phenyl]carbazole
CID 170659247
9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole;9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylcarbazole
CID 162150262
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 170659106
9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170658615
5-[1-[4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714728
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphthalen-2-ylnaphthalen-2-yl]carbazole
CID 170658432
9-[4-(3,5-diphenylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3,5-diphenylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 160984950

Frequently Asked Questions

What is the IUPAC name of 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The IUPAC name of 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole (CID 166917834) is 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole.
What is the SMILES notation for 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The canonical SMILES for 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4c(-n5c6ccccc6c6ccccc65)ccc5ccccc45)n3)cc2)cc1.
What is the InChIKey of 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
The InChIKey is QCPJFHDNCYULOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-2-12-31(13-3-1)33-22-25-35(26-23-33)45-48-46(37-27-24-32-14-4-5-16-36(32)30-37)50-47(49-45)44-38-17-7-6-15-34(38)28-29-43(44)51-41-20-10-8-18-39(41)40-19-9-11-21-42(40)51/h1-30H.
What are the key properties of 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole?
9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]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 9-[1-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]carbazole is sourced from PubChem (CID 166917834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).