2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane

C45H36N6 — CID 144768267

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane
SMILESCC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cnc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)nc3)cc2)cc1
InChIInChI=1S/C43H30N6.C2H6/c1-5-13-31(14-6-1)33-21-25-37(26-22-33)49(38-27-23-34(24-28-38)32-15-7-2-8-16-32)39-29-44-42(45-30-39)43-47-40(35-17-9-3-10-18-35)46-41(48-43)36-19-11-4-12-20-36;1-2/h1-30H;1-2H3
InChIKeyYJDREQDEYCRNSF-UHFFFAOYSA-N
MW660.83 g/mol
LogP11.49
Rot. Bonds8

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane (PubChem CID 144768267) has the molecular formula C45H36N6 and a molecular weight of 660.83 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane
PubChem CID144768267
Molecular FormulaC45H36N6
Molecular Weight660.83 g/mol
Exact Mass660.30
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane
SMILESCC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cnc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)nc3)cc2)cc1
InChIInChI=1S/C43H30N6.C2H6/c1-5-13-31(14-6-1)33-21-25-37(26-22-33)49(38-27-23-34(24-28-38)32-15-7-2-8-16-32)39-29-44-42(45-30-39)43-47-40(35-17-9-3-10-18-35)46-41(48-43)36-19-11-4-12-20-36;1-2/h1-30H;1-2H3
InChIKeyYJDREQDEYCRNSF-UHFFFAOYSA-N
XLogP11.49
TPSA67.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.83
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58028600
4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 155784369
ethane;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158849032
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
CID 59779628
4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane (CID 144768267) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane is CC.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cnc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)nc3)cc2)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane?
The InChIKey is YJDREQDEYCRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N6.C2H6/c1-5-13-31(14-6-1)33-21-25-37(26-22-33)49(38-27-23-34(24-28-38)32-15-7-2-8-16-32)39-29-44-42(45-30-39)43-47-40(35-17-9-3-10-18-35)46-41(48-43)36-19-11-4-12-20-36;1-2/h1-30H;1-2H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane has a molecular weight of 660.83 g/mol, XLogP of 11.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)pyrimidin-5-amine;ethane is sourced from PubChem (CID 144768267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).