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

C69H51N3 — CID 126627820

IUPAC6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(C4=NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)cc3)c2)cc1
InChIInChI=1S/C69H51N3/c1-4-15-48(16-5-1)57-21-10-24-60(43-57)51-31-37-54(38-32-51)67-70-68(55-39-33-52(34-40-55)61-25-13-29-65(46-61)63-27-11-22-58(44-63)49-17-6-2-7-18-49)72-69(71-67)56-41-35-53(36-42-56)62-26-14-30-66(47-62)64-28-12-23-59(45-64)50-19-8-3-9-20-50/h1-47,68-69,72H,(H,70,71)
InChIKeyGFEKZRVQGOESIU-UHFFFAOYSA-N
MW922.19 g/mol
LogP17.36
Rot. Bonds11

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

6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 126627820) has the molecular formula C69H51N3 and a molecular weight of 922.19 g/mol. Its IUPAC name is 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID126627820
Molecular FormulaC69H51N3
Molecular Weight922.19 g/mol
Exact Mass921.41
IUPAC Name6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc(C4=NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)cc3)c2)cc1
InChIInChI=1S/C69H51N3/c1-4-15-48(16-5-1)57-21-10-24-60(43-57)51-31-37-54(38-32-51)67-70-68(55-39-33-52(34-40-55)61-25-13-29-65(46-61)63-27-11-22-58(44-63)49-17-6-2-7-18-49)72-69(71-67)56-41-35-53(36-42-56)62-26-14-30-66(47-62)64-28-12-23-59(45-64)50-19-8-3-9-20-50/h1-47,68-69,72H,(H,70,71)
InChIKeyGFEKZRVQGOESIU-UHFFFAOYSA-N
XLogP17.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.19
LogP ≤ 517.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 126627820) is 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc(C4=NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)NC(c5ccc(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)cc5)N4)cc3)c2)cc1.
What is the InChIKey of 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is GFEKZRVQGOESIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H51N3/c1-4-15-48(16-5-1)57-21-10-24-60(43-57)51-31-37-54(38-32-51)67-70-68(55-39-33-52(34-40-55)61-25-13-29-65(46-61)63-27-11-22-58(44-63)49-17-6-2-7-18-49)72-69(71-67)56-41-35-53(36-42-56)62-26-14-30-66(47-62)64-28-12-23-59(45-64)50-19-8-3-9-20-50/h1-47,68-69,72H,(H,70,71).
What are the key properties of 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine?
6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 922.19 g/mol, XLogP of 17.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-phenylphenyl)phenyl]-2,4-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 126627820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).