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

C27H20N4 — CID 22352251

IUPAC4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H20N4/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H2,28,29,30,31)
InChIKeyCMLNJQVEJXAEFB-UHFFFAOYSA-N
MW400.49 g/mol
LogP6.12
Rot. Bonds4

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

4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 22352251) has the molecular formula C27H20N4 and a molecular weight of 400.49 g/mol. Its IUPAC name is 4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
PubChem CID22352251
Molecular FormulaC27H20N4
Molecular Weight400.49 g/mol
Exact Mass400.17
IUPAC Name4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C27H20N4/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H2,28,29,30,31)
InChIKeyCMLNJQVEJXAEFB-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-(3,5-dichlorophenyl)-6-phenyl-1,3,5-triazin-2-amine
CID 107918328
formamide;6-phenyl-1,3,5-triazine-2,4-diamine
CID 90097398
6-phenyl-1,3,5-triazine-2,4-diamine;thiourea
CID 87330411
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-amine
CID 63866847
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-amine
CID 165048378
6-phenyl-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione
CID 23514227
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine (CID 22352251) is 4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine is Nc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is CMLNJQVEJXAEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4/c28-27-30-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)29-26(31-27)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H2,28,29,30,31).
What are the key properties of 4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine?
4,6-bis(4-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(4-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 22352251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).