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

C47H30N4 — CID 170658886

IUPAC9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C47H30N4/c1-2-14-31(15-3-1)34-28-29-41(44(30-34)51-42-26-10-8-22-37(42)38-23-9-11-27-43(38)51)47-49-45(39-24-12-18-32-16-4-6-20-35(32)39)48-46(50-47)40-25-13-19-33-17-5-7-21-36(33)40/h1-30H
InChIKeyBDXKPFUXNWVLAY-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.94
Rot. Bonds5

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

9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole (PubChem CID 170658886) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole.

Molecular Properties

Compound Name9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
PubChem CID170658886
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C47H30N4/c1-2-14-31(15-3-1)34-28-29-41(44(30-34)51-42-26-10-8-22-37(42)38-23-9-11-27-43(38)51)47-49-45(39-24-12-18-32-16-4-6-20-35(32)39)48-46(50-47)40-25-13-19-33-17-5-7-21-36(33)40/h1-30H
InChIKeyBDXKPFUXNWVLAY-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

9-[2-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)phenyl]carbazole
CID 170658935
9-[5-naphthalen-1-yl-2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659152
9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659085
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170244460
9-[2-naphthalen-1-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658673
9-[5-phenyl-2-[4-(5-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658746
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500292
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
9-[2-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170659105
9-[2-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170658615
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-2-ylphenyl]carbazole
CID 170659106

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The IUPAC name of 9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole (CID 170658886) is 9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole.
What is the SMILES notation for 9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The canonical SMILES for 9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
The InChIKey is BDXKPFUXNWVLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-2-14-31(15-3-1)34-28-29-41(44(30-34)51-42-26-10-8-22-37(42)38-23-9-11-27-43(38)51)47-49-45(39-24-12-18-32-16-4-6-20-35(32)39)48-46(50-47)40-25-13-19-33-17-5-7-21-36(33)40/h1-30H.
What are the key properties of 9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole?
9-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]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-[2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole is sourced from PubChem (CID 170658886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).