4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine

C57H43N3 — CID 126628188

IUPAC4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(C4=NC(c5cccc(-c6ccccc6)c5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)c3)c2)cc1
InChIInChI=1S/C57H43N3/c1-4-15-40(16-5-1)45-21-10-25-49(35-45)50-26-12-23-47(37-50)43-31-33-44(34-32-43)55-58-56(53-29-13-24-48(38-53)42-19-8-3-9-20-42)60-57(59-55)54-30-14-28-52(39-54)51-27-11-22-46(36-51)41-17-6-2-7-18-41/h1-39,55-56,58H,(H,59,60)
InChIKeyOIKGDTPLUMHYQV-UHFFFAOYSA-N
MW769.99 g/mol
LogP14.03
Rot. Bonds9

About 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine

4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 126628188) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID126628188
Molecular FormulaC57H43N3
Molecular Weight769.99 g/mol
Exact Mass769.35
IUPAC Name4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(C4=NC(c5cccc(-c6ccccc6)c5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)c3)c2)cc1
InChIInChI=1S/C57H43N3/c1-4-15-40(16-5-1)45-21-10-25-49(35-45)50-26-12-23-47(37-50)43-31-33-44(34-32-43)55-58-56(53-29-13-24-48(38-53)42-19-8-3-9-20-42)60-57(59-55)54-30-14-28-52(39-54)51-27-11-22-46(36-51)41-17-6-2-7-18-41/h1-39,55-56,58H,(H,59,60)
InChIKeyOIKGDTPLUMHYQV-UHFFFAOYSA-N
XLogP14.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 514.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 126628188) is 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(C4=NC(c5cccc(-c6ccccc6)c5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)c3)c2)cc1.
What is the InChIKey of 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is OIKGDTPLUMHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-4-15-40(16-5-1)45-21-10-25-49(35-45)50-26-12-23-47(37-50)43-31-33-44(34-32-43)55-58-56(53-29-13-24-48(38-53)42-19-8-3-9-20-42)60-57(59-55)54-30-14-28-52(39-54)51-27-11-22-46(36-51)41-17-6-2-7-18-41/h1-39,55-56,58H,(H,59,60).
What are the key properties of 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 769.99 g/mol, XLogP of 14.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 126628188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).