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

C48H30N4O — CID 163661184

IUPAC3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline
SMILESc1ccc(-c2ccc(-c3ccc4ncc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C48H30N4O/c1-3-10-31(11-4-1)32-18-20-33(21-19-32)37-26-27-43-38(28-37)29-39(30-49-43)34-22-24-36(25-23-34)47-50-46(35-12-5-2-6-13-35)51-48(52-47)42-16-9-15-41-40-14-7-8-17-44(40)53-45(41)42/h1-30H
InChIKeyIUNAJZRJSGZFPV-UHFFFAOYSA-N
MW678.80 g/mol
LogP12.32
Rot. Bonds6

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

3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline (PubChem CID 163661184) has the molecular formula C48H30N4O and a molecular weight of 678.80 g/mol. Its IUPAC name is 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline.

Molecular Properties

Compound Name3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline
PubChem CID163661184
Molecular FormulaC48H30N4O
Molecular Weight678.80 g/mol
Exact Mass678.24
IUPAC Name3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline
SMILESc1ccc(-c2ccc(-c3ccc4ncc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)cc5)cc4c3)cc2)cc1
InChIInChI=1S/C48H30N4O/c1-3-10-31(11-4-1)32-18-20-33(21-19-32)37-26-27-43-38(28-37)29-39(30-49-43)34-22-24-36(25-23-34)47-50-46(35-12-5-2-6-13-35)51-48(52-47)42-16-9-15-41-40-14-7-8-17-44(40)53-45(41)42/h1-30H
InChIKeyIUNAJZRJSGZFPV-UHFFFAOYSA-N
XLogP12.32
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline?
The IUPAC name of 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline (CID 163661184) is 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline.
What is the SMILES notation for 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline?
The canonical SMILES for 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline is c1ccc(-c2ccc(-c3ccc4ncc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc8c7oc7ccccc78)n6)cc5)cc4c3)cc2)cc1.
What is the InChIKey of 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline?
The InChIKey is IUNAJZRJSGZFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O/c1-3-10-31(11-4-1)32-18-20-33(21-19-32)37-26-27-43-38(28-37)29-39(30-49-43)34-22-24-36(25-23-34)47-50-46(35-12-5-2-6-13-35)51-48(52-47)42-16-9-15-41-40-14-7-8-17-44(40)53-45(41)42/h1-30H.
What are the key properties of 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline?
3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline has a molecular weight of 678.80 g/mol, XLogP of 12.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)quinoline is sourced from PubChem (CID 163661184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).