4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole

C51H32N4O — CID 146335946

IUPAC4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7c(-c8ccccc8)cccc76)cccc45)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)38-30-31-40-41-22-13-25-45(48(41)56-46(40)32-38)55-43-23-11-10-20-42(43)47-39(21-12-24-44(47)55)35-16-6-2-7-17-35/h1-32H
InChIKeyAPYADTXRUVFSOC-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole

4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 146335946) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID146335946
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7c(-c8ccccc8)cccc76)cccc45)n3)cc2)cc1
InChIInChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)38-30-31-40-41-22-13-25-45(48(41)56-46(40)32-38)55-43-23-11-10-20-42(43)47-39(21-12-24-44(47)55)35-16-6-2-7-17-35/h1-32H
InChIKeyAPYADTXRUVFSOC-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 146335946) is 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4c(-n6c7ccccc7c7c(-c8ccccc8)cccc76)cccc45)n3)cc2)cc1.
What is the InChIKey of 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is APYADTXRUVFSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-14-33(15-5-1)34-26-28-37(29-27-34)50-52-49(36-18-8-3-9-19-36)53-51(54-50)38-30-31-40-41-22-13-25-45(48(41)56-46(40)32-38)55-43-23-11-10-20-42(43)47-39(21-12-24-44(47)55)35-16-6-2-7-17-35/h1-32H.
What are the key properties of 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 146335946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).