2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine

C40H34N8 — CID 159020840

IUPAC2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Cc2ccc(Nc3nc(Nc4ccc(Nc5ccccc5)cc4)nc(Nc4ccc(Nc5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C40H34N8/c1-4-10-29(11-5-1)28-30-16-18-35(19-17-30)43-38-46-39(44-36-24-20-33(21-25-36)41-31-12-6-2-7-13-31)48-40(47-38)45-37-26-22-34(23-27-37)42-32-14-8-3-9-15-32/h1-27,41-42H,28H2,(H3,43,44,45,46,47,48)
InChIKeyUEISOIAVRUCCAB-UHFFFAOYSA-N
MW626.77 g/mol
LogP10.18
Rot. Bonds12

About 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 159020840) has the molecular formula C40H34N8 and a molecular weight of 626.77 g/mol. Its IUPAC name is 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID159020840
Molecular FormulaC40H34N8
Molecular Weight626.77 g/mol
Exact Mass626.29
IUPAC Name2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Cc2ccc(Nc3nc(Nc4ccc(Nc5ccccc5)cc4)nc(Nc4ccc(Nc5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C40H34N8/c1-4-10-29(11-5-1)28-30-16-18-35(19-17-30)43-38-46-39(44-36-24-20-33(21-25-36)41-31-12-6-2-7-13-31)48-40(47-38)45-37-26-22-34(23-27-37)42-32-14-8-3-9-15-32/h1-27,41-42H,28H2,(H3,43,44,45,46,47,48)
InChIKeyUEISOIAVRUCCAB-UHFFFAOYSA-N
XLogP10.18
TPSA98.82 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.77
LogP ≤ 510.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine 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

N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 58321884
2-N,4-N,6-N-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine-2,4,6-triamine
CID 146533849
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71095114
4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11181674
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine
CID 162039964
6-N-[5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]pentyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 20775300
N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline
CID 157120065
ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
CID 91580530
4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole
CID 174951048
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;6-[(4-methylphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2-N,4-N,6-N-tris(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159663695

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 159020840) is 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine is c1ccc(Cc2ccc(Nc3nc(Nc4ccc(Nc5ccccc5)cc4)nc(Nc4ccc(Nc5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UEISOIAVRUCCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N8/c1-4-10-29(11-5-1)28-30-16-18-35(19-17-30)43-38-46-39(44-36-24-20-33(21-25-36)41-31-12-6-2-7-13-31)48-40(47-38)45-37-26-22-34(23-27-37)42-32-14-8-3-9-15-32/h1-27,41-42H,28H2,(H3,43,44,45,46,47,48).
What are the key properties of 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 626.77 g/mol, XLogP of 10.18, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159020840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).