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

C33H24N4 — CID 177073813

IUPAC4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine
SMILESc1ccc(-c2cccc(Nc3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C33H24N4/c1-4-12-24(13-5-1)27-18-10-20-29(22-27)32-35-31(26-16-8-3-9-17-26)36-33(37-32)34-30-21-11-19-28(23-30)25-14-6-2-7-15-25/h1-23H,(H,34,35,36,37)
InChIKeyDFSGRSVDXIZGSG-UHFFFAOYSA-N
MW476.58 g/mol
LogP8.28
Rot. Bonds6

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

4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine (PubChem CID 177073813) has the molecular formula C33H24N4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine
PubChem CID177073813
Molecular FormulaC33H24N4
Molecular Weight476.58 g/mol
Exact Mass476.20
IUPAC Name4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine
SMILESc1ccc(-c2cccc(Nc3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C33H24N4/c1-4-12-24(13-5-1)27-18-10-20-29(22-27)32-35-31(26-16-8-3-9-17-26)36-33(37-32)34-30-21-11-19-28(23-30)25-14-6-2-7-15-25/h1-23H,(H,34,35,36,37)
InChIKeyDFSGRSVDXIZGSG-UHFFFAOYSA-N
XLogP8.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
2,4-diphenyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,5-triazine
CID 122470021
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 122675664
2,4-diphenyl-6-[3-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167415087
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
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine (CID 177073813) is 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine is c1ccc(-c2cccc(Nc3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is DFSGRSVDXIZGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4/c1-4-12-24(13-5-1)27-18-10-20-29(22-27)32-35-31(26-16-8-3-9-17-26)36-33(37-32)34-30-21-11-19-28(23-30)25-14-6-2-7-15-25/h1-23H,(H,34,35,36,37).
What are the key properties of 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine?
4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 476.58 g/mol, XLogP of 8.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N,6-bis(3-phenylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 177073813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).