4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine

C27H20N4 — CID 165048378

IUPAC4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccccc2-c2ccccc2)nc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C27H20N4/c28-27-30-25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)29-26(31-27)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H2,28,29,30,31)
InChIKeyPGNZWJKGZSGPTR-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.12
Rot. Bonds4

About 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine

4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 165048378) has the molecular formula C27H20N4 and a molecular weight of 400.49 g/mol. Its IUPAC name is 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine
PubChem CID165048378
Molecular FormulaC27H20N4
Molecular Weight400.49 g/mol
Exact Mass400.17
IUPAC Name4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccccc2-c2ccccc2)nc(-c2ccccc2-c2ccccc2)n1
InChIInChI=1S/C27H20N4/c28-27-30-25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)29-26(31-27)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H2,28,29,30,31)
InChIKeyPGNZWJKGZSGPTR-UHFFFAOYSA-N
XLogP6.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.49
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 118979887
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
2-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[3-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 165007118
2-(2-chlorophenyl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 155151395
2-(4-phenylphenyl)-4-[2-(4-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052368
4-(3,5-dichlorophenyl)-6-phenyl-1,3,5-triazin-2-amine
CID 107918328
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-[3-(4-chlorophenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 154697410
2-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052536

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine (CID 165048378) is 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine is Nc1nc(-c2ccccc2-c2ccccc2)nc(-c2ccccc2-c2ccccc2)n1.
What is the InChIKey of 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is PGNZWJKGZSGPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4/c28-27-30-25(23-17-9-7-15-21(23)19-11-3-1-4-12-19)29-26(31-27)24-18-10-8-16-22(24)20-13-5-2-6-14-20/h1-18H,(H2,28,29,30,31).
What are the key properties of 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine?
4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 400.49 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 165048378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).