4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C24H27ClN6 — CID 123206456

IUPAC4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC=CC(C)=CCNc1nc(Nc2ccc(Cl)cc2)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C24H27ClN6/c1-4-5-7-17(2)14-15-26-22-29-23(27-20-12-10-19(25)11-13-20)31-24(30-22)28-21-9-6-8-18(3)16-21/h5-14,16H,4,15H2,1-3H3,(H3,26,27,28,29,30,31)
InChIKeyWVRLQEPZGODPGM-UHFFFAOYSA-N
MW434.98 g/mol
LogP6.65
Rot. Bonds9

About 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine

4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 123206456) has the molecular formula C24H27ClN6 and a molecular weight of 434.98 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID123206456
Molecular FormulaC24H27ClN6
Molecular Weight434.98 g/mol
Exact Mass434.20
IUPAC Name4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC=CC(C)=CCNc1nc(Nc2ccc(Cl)cc2)nc(Nc2cccc(C)c2)n1
InChIInChI=1S/C24H27ClN6/c1-4-5-7-17(2)14-15-26-22-29-23(27-20-12-10-19(25)11-13-20)31-24(30-22)28-21-9-6-8-18(3)16-21/h5-14,16H,4,15H2,1-3H3,(H3,26,27,28,29,30,31)
InChIKeyWVRLQEPZGODPGM-UHFFFAOYSA-N
XLogP6.65
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.98
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
2-[[4,6-bis(3-methylanilino)-1,3,5-triazin-2-yl]amino]acetic acid
CID 14064847
N-[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 16755340
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
1-[4-[[4-(3-methylanilino)-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]propan-1-one
CID 143609419
4-[[4-chloro-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 59346269
[3-[[4-(4-bromoanilino)-6-(3-methylanilino)-1,3,5-triazin-2-yl]amino]phenyl]methanol
CID 71163222
6-chloro-2-N-(3-chlorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 53418673
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
4-(4-chloroanilino)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 30320044

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 123206456) is 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is CCC=CC(C)=CCNc1nc(Nc2ccc(Cl)cc2)nc(Nc2cccc(C)c2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WVRLQEPZGODPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6/c1-4-5-7-17(2)14-15-26-22-29-23(27-20-12-10-19(25)11-13-20)31-24(30-22)28-21-9-6-8-18(3)16-21/h5-14,16H,4,15H2,1-3H3,(H3,26,27,28,29,30,31).
What are the key properties of 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 434.98 g/mol, XLogP of 6.65, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-6-N-(3-methylhepta-2,4-dienyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 123206456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).