6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine

C28H26ClN7O2 — CID 20693587

IUPAC6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(C)c2cc(C)ccc2c1/N=N/c1c(C)cc2cc(Nc3nc(N)nc(Cl)n3)ccc2c1OC
InChIInChI=1S/C28H26ClN7O2/c1-14-6-8-20-21(10-14)15(2)12-22(37-4)24(20)36-35-23-16(3)11-17-13-18(7-9-19(17)25(23)38-5)31-28-33-26(29)32-27(30)34-28/h6-13H,1-5H3,(H3,30,31,32,33,34)/b36-35+
InChIKeySLZTWVDCUXTXBX-ULDVOPSXSA-N
MW528.02 g/mol
LogP7.52
Rot. Bonds6

About 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 20693587) has the molecular formula C28H26ClN7O2 and a molecular weight of 528.02 g/mol. Its IUPAC name is 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID20693587
Molecular FormulaC28H26ClN7O2
Molecular Weight528.02 g/mol
Exact Mass527.18
IUPAC Name6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCOc1cc(C)c2cc(C)ccc2c1/N=N/c1c(C)cc2cc(Nc3nc(N)nc(Cl)n3)ccc2c1OC
InChIInChI=1S/C28H26ClN7O2/c1-14-6-8-20-21(10-14)15(2)12-22(37-4)24(20)36-35-23-16(3)11-17-13-18(7-9-19(17)25(23)38-5)31-28-33-26(29)32-27(30)34-28/h6-13H,1-5H3,(H3,30,31,32,33,34)/b36-35+
InChIKeySLZTWVDCUXTXBX-ULDVOPSXSA-N
XLogP7.52
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.02
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine (CID 20693587) is 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine is COc1cc(C)c2cc(C)ccc2c1/N=N/c1c(C)cc2cc(Nc3nc(N)nc(Cl)n3)ccc2c1OC.
What is the InChIKey of 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SLZTWVDCUXTXBX-ULDVOPSXSA-N. The full InChI is InChI=1S/C28H26ClN7O2/c1-14-6-8-20-21(10-14)15(2)12-22(37-4)24(20)36-35-23-16(3)11-17-13-18(7-9-19(17)25(23)38-5)31-28-33-26(29)32-27(30)34-28/h6-13H,1-5H3,(H3,30,31,32,33,34)/b36-35+.
What are the key properties of 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 528.02 g/mol, XLogP of 7.52, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[5-methoxy-6-[(2-methoxy-4,6-dimethylnaphthalen-1-yl)diazenyl]-7-methylnaphthalen-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20693587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).