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

C45H31N3 — CID 171052337

IUPAC2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C45H31N3/c1-4-13-32(14-5-1)35-25-27-36(28-26-35)43-46-44(41-23-11-20-38(30-41)34-17-8-3-9-18-34)48-45(47-43)42-24-12-22-40(31-42)39-21-10-19-37(29-39)33-15-6-2-7-16-33/h1-31H
InChIKeyORVQQAHAMIBFIC-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.54
Rot. Bonds7

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

2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 171052337) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID171052337
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C45H31N3/c1-4-13-32(14-5-1)35-25-27-36(28-26-35)43-46-44(41-23-11-20-38(30-41)34-17-8-3-9-18-34)48-45(47-43)42-24-12-22-40(31-42)39-21-10-19-37(29-39)33-15-6-2-7-16-33/h1-31H
InChIKeyORVQQAHAMIBFIC-UHFFFAOYSA-N
XLogP11.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 171052337) is 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc(-c5cccc(-c6ccccc6)c5)c4)n3)cc2)cc1.
What is the InChIKey of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is ORVQQAHAMIBFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-4-13-32(14-5-1)35-25-27-36(28-26-35)43-46-44(41-23-11-20-38(30-41)34-17-8-3-9-18-34)48-45(47-43)42-24-12-22-40(31-42)39-21-10-19-37(29-39)33-15-6-2-7-16-33/h1-31H.
What are the key properties of 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 613.76 g/mol, XLogP of 11.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171052337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).