6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one

C52H54N14O4 — CID 135855067

IUPAC6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one
SMILESCc1ccc(C)c(/N=N/c2c(C)cc3cc(C)cc(Nc4nc(N5CC(C)N(c6nc(Nc7cc(C)cc8cc(C)c(/N=N/c9cc(C)ccc9C)c(O)c78)[nH]c(=O)n6)CC5C)nc(=O)[nH]4)c3c2O)c1
InChIInChI=1S/C52H54N14O4/c1-25-11-13-29(5)37(17-25)61-63-43-31(7)21-35-15-27(3)19-39(41(35)45(43)67)53-47-55-49(59-51(69)57-47)65-23-34(10)66(24-33(65)9)50-56-48(58-52(70)60-50)54-40-20-28(4)16-36-22-32(8)44(46(68)42(36)40)64-62-38-18-26(2)12-14-30(38)6/h11-22,33-34,67-68H,23-24H2,1-10H3,(H2,53,55,57,59,69)(H2,54,56,58,60,70)/b63-61+,64-62+
InChIKeyQSWVDNYMAHEUGL-DOTBRBQPSA-N
MW939.10 g/mol
LogP11.25
Rot. Bonds10

About 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one

6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one (PubChem CID 135855067) has the molecular formula C52H54N14O4 and a molecular weight of 939.10 g/mol. Its IUPAC name is 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one
PubChem CID135855067
Molecular FormulaC52H54N14O4
Molecular Weight939.10 g/mol
Exact Mass938.45
IUPAC Name6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one
SMILESCc1ccc(C)c(/N=N/c2c(C)cc3cc(C)cc(Nc4nc(N5CC(C)N(c6nc(Nc7cc(C)cc8cc(C)c(/N=N/c9cc(C)ccc9C)c(O)c78)[nH]c(=O)n6)CC5C)nc(=O)[nH]4)c3c2O)c1
InChIInChI=1S/C52H54N14O4/c1-25-11-13-29(5)37(17-25)61-63-43-31(7)21-35-15-27(3)19-39(41(35)45(43)67)53-47-55-49(59-51(69)57-47)65-23-34(10)66(24-33(65)9)50-56-48(58-52(70)60-50)54-40-20-28(4)16-36-22-32(8)44(46(68)42(36)40)64-62-38-18-26(2)12-14-30(38)6/h11-22,33-34,67-68H,23-24H2,1-10H3,(H2,53,55,57,59,69)(H2,54,56,58,60,70)/b63-61+,64-62+
InChIKeyQSWVDNYMAHEUGL-DOTBRBQPSA-N
XLogP11.25
TPSA237.72 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500939.10
LogP ≤ 511.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one (CID 135855067) is 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one is Cc1ccc(C)c(/N=N/c2c(C)cc3cc(C)cc(Nc4nc(N5CC(C)N(c6nc(Nc7cc(C)cc8cc(C)c(/N=N/c9cc(C)ccc9C)c(O)c78)[nH]c(=O)n6)CC5C)nc(=O)[nH]4)c3c2O)c1.
What is the InChIKey of 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one?
The InChIKey is QSWVDNYMAHEUGL-DOTBRBQPSA-N. The full InChI is InChI=1S/C52H54N14O4/c1-25-11-13-29(5)37(17-25)61-63-43-31(7)21-35-15-27(3)19-39(41(35)45(43)67)53-47-55-49(59-51(69)57-47)65-23-34(10)66(24-33(65)9)50-56-48(58-52(70)60-50)54-40-20-28(4)16-36-22-32(8)44(46(68)42(36)40)64-62-38-18-26(2)12-14-30(38)6/h11-22,33-34,67-68H,23-24H2,1-10H3,(H2,53,55,57,59,69)(H2,54,56,58,60,70)/b63-61+,64-62+.
What are the key properties of 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one?
6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one has a molecular weight of 939.10 g/mol, XLogP of 11.25, 10 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-4-[4-[2-[[7-[(2,5-dimethylphenyl)diazenyl]-8-hydroxy-3,6-dimethylnaphthalen-1-yl]amino]-6-oxo-1H-1,3,5-triazin-4-yl]-2,5-dimethylpiperazin-1-yl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135855067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).