4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline

C51H48N6 — CID 102416897

IUPAC4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(-c3nc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)nc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C51H48N6/c1-55(2)46-31-19-40(20-32-46)10-7-37-13-25-43(26-14-37)49-52-50(44-27-15-38(16-28-44)8-11-41-21-33-47(34-22-41)56(3)4)54-51(53-49)45-29-17-39(18-30-45)9-12-42-23-35-48(36-24-42)57(5)6/h7-36H,1-6H3/b10-7+,11-8+,12-9+
InChIKeyLSTYNMUAXJMNTL-SRDSWEMOSA-N
MW744.99 g/mol
LogP11.58
Rot. Bonds12

About 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline

4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline (PubChem CID 102416897) has the molecular formula C51H48N6 and a molecular weight of 744.99 g/mol. Its IUPAC name is 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
PubChem CID102416897
Molecular FormulaC51H48N6
Molecular Weight744.99 g/mol
Exact Mass744.39
IUPAC Name4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(-c3nc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)nc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)n3)cc2)cc1
InChIInChI=1S/C51H48N6/c1-55(2)46-31-19-40(20-32-46)10-7-37-13-25-43(26-14-37)49-52-50(44-27-15-38(16-28-44)8-11-41-21-33-47(34-22-41)56(3)4)54-51(53-49)45-29-17-39(18-30-45)9-12-42-23-35-48(36-24-42)57(5)6/h7-36H,1-6H3/b10-7+,11-8+,12-9+
InChIKeyLSTYNMUAXJMNTL-SRDSWEMOSA-N
XLogP11.58
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.99
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

6-[4-(dimethylamino)phenyl]-2-N-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 168298662
2,4,6-Tris(4-aminophenyl)-1,3,5-triazine
CID 1515256
10-(4-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-9,9-dimethyl-9,10-dihydroacridine
CID 118528399
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
CID 16378623
N-(4-methylphenyl)-4-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 25256950
4',4''',4'''''-(1,3,5-Triazine-2,4,6-triyl)tris([1,1'-biphenyl]-4-amine)
CID 154703059
4-[4,6-bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N,N-dimethylaniline
CID 4594014
2-N-benzyl-6-methyl-4-N-(4-methylphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 10593782
2-N-benzyl-2-N-ethyl-6-methyl-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 10854115
4-N-[[4-(aminomethyl)phenyl]methyl]-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 46232290
4-[4-(Dimethylamino)phenyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645156
4-(4,6-Dichloro-1,3,5-triazin-2-yl)-N,N-diethylaniline
CID 56604948

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline (CID 102416897) is 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccc(-c3nc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)nc(-c4ccc(/C=C/c5ccc(N(C)C)cc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline?
The InChIKey is LSTYNMUAXJMNTL-SRDSWEMOSA-N. The full InChI is InChI=1S/C51H48N6/c1-55(2)46-31-19-40(20-32-46)10-7-37-13-25-43(26-14-37)49-52-50(44-27-15-38(16-28-44)8-11-41-21-33-47(34-22-41)56(3)4)54-51(53-49)45-29-17-39(18-30-45)9-12-42-23-35-48(36-24-42)57(5)6/h7-36H,1-6H3/b10-7+,11-8+,12-9+.
What are the key properties of 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline?
4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline has a molecular weight of 744.99 g/mol, XLogP of 11.58, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[4,6-bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 102416897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).