8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline

C47H33N5 — CID 145384087

IUPAC8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline
SMILESc1ccc(C2=NC(c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc5cccnc45)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C47H33N5/c1-3-10-32(11-4-1)33-22-24-38(25-23-33)46-50-45(37-12-5-2-6-13-37)51-47(52-46)42-29-40(35-20-18-34(19-21-35)39-16-8-26-48-31-39)28-41(30-42)43-17-7-14-36-15-9-27-49-44(36)43/h1-31,47H,(H,50,51,52)
InChIKeyPQXPBJCVJRJYFS-UHFFFAOYSA-N
MW667.82 g/mol
LogP10.79
Rot. Bonds7

About 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline

8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline (PubChem CID 145384087) has the molecular formula C47H33N5 and a molecular weight of 667.82 g/mol. Its IUPAC name is 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline.

Molecular Properties

Compound Name8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline
PubChem CID145384087
Molecular FormulaC47H33N5
Molecular Weight667.82 g/mol
Exact Mass667.27
IUPAC Name8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline
SMILESc1ccc(C2=NC(c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc5cccnc45)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1
InChIInChI=1S/C47H33N5/c1-3-10-32(11-4-1)33-22-24-38(25-23-33)46-50-45(37-12-5-2-6-13-37)51-47(52-46)42-29-40(35-20-18-34(19-21-35)39-16-8-26-48-31-39)28-41(30-42)43-17-7-14-36-15-9-27-49-44(36)43/h1-31,47H,(H,50,51,52)
InChIKeyPQXPBJCVJRJYFS-UHFFFAOYSA-N
XLogP10.79
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 510.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-diphenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 164758282
8-[7'-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-2'-yl]quinoline
CID 164793099
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 153197016
4-(3-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,4-dihydropyrimidine
CID 121477675
3-[6-[3-(4-phenylphenyl)-5-quinolin-8-ylphenyl]-3-pyridinyl]-1,10-phenanthroline
CID 171459977
7-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[f][4,7]phenanthroline
CID 90378842
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 129263235
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
4-(3-methyl-5-phenylphenyl)-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 144615998
3-(3,5-diphenylphenyl)pyridine
CID 141411458

Frequently Asked Questions

What is the IUPAC name of 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline?
The IUPAC name of 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline (CID 145384087) is 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline.
What is the SMILES notation for 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline?
The canonical SMILES for 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline is c1ccc(C2=NC(c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4cccc5cccnc45)c3)N=C(c3ccc(-c4ccccc4)cc3)N2)cc1.
What is the InChIKey of 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline?
The InChIKey is PQXPBJCVJRJYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5/c1-3-10-32(11-4-1)33-22-24-38(25-23-33)46-50-45(37-12-5-2-6-13-37)51-47(52-46)42-29-40(35-20-18-34(19-21-35)39-16-8-26-48-31-39)28-41(30-42)43-17-7-14-36-15-9-27-49-44(36)43/h1-31,47H,(H,50,51,52).
What are the key properties of 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline?
8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline has a molecular weight of 667.82 g/mol, XLogP of 10.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]-5-(4-pyridin-3-ylphenyl)phenyl]quinoline is sourced from PubChem (CID 145384087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).