7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole

C53H32N4O — CID 162501371

IUPAC7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7c8ccccc8ccc76)cccc45)n3)c2)cc1
InChIInChI=1S/C53H32N4O/c1-2-12-33(13-3-1)37-17-10-18-38(30-37)51-54-52(39-25-24-34-14-4-5-16-36(34)31-39)56-53(55-51)40-26-28-42-43-21-11-23-47(50(43)58-48(42)32-40)57-45-22-9-8-20-44(45)49-41-19-7-6-15-35(41)27-29-46(49)57/h1-32H
InChIKeyCWTGQMSTVNHPRE-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole

7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole (PubChem CID 162501371) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
PubChem CID162501371
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7c8ccccc8ccc76)cccc45)n3)c2)cc1
InChIInChI=1S/C53H32N4O/c1-2-12-33(13-3-1)37-17-10-18-38(30-37)51-54-52(39-25-24-34-14-4-5-16-36(34)31-39)56-53(55-51)40-26-28-42-43-21-11-23-47(50(43)58-48(42)32-40)57-45-22-9-8-20-44(45)49-41-19-7-6-15-35(41)27-29-46(49)57/h1-32H
InChIKeyCWTGQMSTVNHPRE-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole?
The IUPAC name of 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole (CID 162501371) is 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole?
The canonical SMILES for 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7c8ccccc8ccc76)cccc45)n3)c2)cc1.
What is the InChIKey of 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole?
The InChIKey is CWTGQMSTVNHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-12-33(13-3-1)37-17-10-18-38(30-37)51-54-52(39-25-24-34-14-4-5-16-36(34)31-39)56-53(55-51)40-26-28-42-43-21-11-23-47(50(43)58-48(42)32-40)57-45-22-9-8-20-44(45)49-41-19-7-6-15-35(41)27-29-46(49)57/h1-32H.
What are the key properties of 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole?
7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole has a molecular weight of 740.87 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole is sourced from PubChem (CID 162501371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).