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

C69H49N3 — CID 126629152

IUPAC6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4cccc(-c5cccc(-c6ccccc6)c5)c4)=NC(c4cccc(-c5cccc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)c5)c4)N3)c2)cc1
InChIInChI=1S/C69H49N3/c1-4-17-48(18-5-1)53-23-10-28-58(41-53)59-29-12-25-55(43-59)51-37-39-52(40-38-51)56-26-13-31-61(44-56)63-33-16-36-66(47-63)69-71-67(64-34-14-27-57(45-64)50-21-8-3-9-22-50)70-68(72-69)65-35-15-32-62(46-65)60-30-11-24-54(42-60)49-19-6-2-7-20-49/h1-47,69H,(H,70,71,72)
InChIKeyADYVYJFYSQRLKG-UHFFFAOYSA-N
MW920.17 g/mol
LogP17.52
Rot. Bonds11

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

6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine (PubChem CID 126629152) has the molecular formula C69H49N3 and a molecular weight of 920.17 g/mol. Its IUPAC name is 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
PubChem CID126629152
Molecular FormulaC69H49N3
Molecular Weight920.17 g/mol
Exact Mass919.39
IUPAC Name6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4cccc(-c5cccc(-c6ccccc6)c5)c4)=NC(c4cccc(-c5cccc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)c5)c4)N3)c2)cc1
InChIInChI=1S/C69H49N3/c1-4-17-48(18-5-1)53-23-10-28-58(41-53)59-29-12-25-55(43-59)51-37-39-52(40-38-51)56-26-13-31-61(44-56)63-33-16-36-66(47-63)69-71-67(64-34-14-27-57(45-64)50-21-8-3-9-22-50)70-68(72-69)65-35-15-32-62(46-65)60-30-11-24-54(42-60)49-19-6-2-7-20-49/h1-47,69H,(H,70,71,72)
InChIKeyADYVYJFYSQRLKG-UHFFFAOYSA-N
XLogP17.52
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.17
LogP ≤ 517.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine (CID 126629152) is 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine is c1ccc(-c2cccc(C3=NC(c4cccc(-c5cccc(-c6ccccc6)c5)c4)=NC(c4cccc(-c5cccc(-c6ccc(-c7cccc(-c8cccc(-c9ccccc9)c8)c7)cc6)c5)c4)N3)c2)cc1.
What is the InChIKey of 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is ADYVYJFYSQRLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N3/c1-4-17-48(18-5-1)53-23-10-28-58(41-53)59-29-12-25-55(43-59)51-37-39-52(40-38-51)56-26-13-31-61(44-56)63-33-16-36-66(47-63)69-71-67(64-34-14-27-57(45-64)50-21-8-3-9-22-50)70-68(72-69)65-35-15-32-62(46-65)60-30-11-24-54(42-60)49-19-6-2-7-20-49/h1-47,69H,(H,70,71,72).
What are the key properties of 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine?
6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 920.17 g/mol, XLogP of 17.52, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylphenyl)-4-[3-(3-phenylphenyl)phenyl]-2-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 126629152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).