6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine

C64H103N5 — CID 91351410

IUPAC6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCc1cc(Nc2nc(Nc3cc(CCCCCCC)c(CCCCCCC)c(CCCCCCC)c3)nc(-c3ccc(C)cc3)n2)cc(CCCCCCC)c1CCCCCCC
InChIInChI=1S/C64H103N5/c1-8-14-20-26-32-38-54-48-58(49-55(39-33-27-21-15-9-2)60(54)42-36-30-24-18-12-5)65-63-67-62(53-46-44-52(7)45-47-53)68-64(69-63)66-59-50-56(40-34-28-22-16-10-3)61(43-37-31-25-19-13-6)57(51-59)41-35-29-23-17-11-4/h44-51H,8-43H2,1-7H3,(H2,65,66,67,68,69)
InChIKeyGLFFZUGVJHAAHH-UHFFFAOYSA-N
MW942.56 g/mol
LogP20.41
Rot. Bonds41

About 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine

6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 91351410) has the molecular formula C64H103N5 and a molecular weight of 942.56 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID91351410
Molecular FormulaC64H103N5
Molecular Weight942.56 g/mol
Exact Mass941.82
IUPAC Name6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCc1cc(Nc2nc(Nc3cc(CCCCCCC)c(CCCCCCC)c(CCCCCCC)c3)nc(-c3ccc(C)cc3)n2)cc(CCCCCCC)c1CCCCCCC
InChIInChI=1S/C64H103N5/c1-8-14-20-26-32-38-54-48-58(49-55(39-33-27-21-15-9-2)60(54)42-36-30-24-18-12-5)65-63-67-62(53-46-44-52(7)45-47-53)68-64(69-63)66-59-50-56(40-34-28-22-16-10-3)61(43-37-31-25-19-13-6)57(51-59)41-35-29-23-17-11-4/h44-51H,8-43H2,1-7H3,(H2,65,66,67,68,69)
InChIKeyGLFFZUGVJHAAHH-UHFFFAOYSA-N
XLogP20.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds41
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.56
LogP ≤ 520.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(4-ethylphenyl)-2-N,4-N-bis(3,4,5-tributylphenyl)-1,3,5-triazine-2,4-diamine
CID 69380675
6-(4-methylphenyl)-2-N,4-N-bis[3,4,5-tri(docosoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 90869407
6-(4-methylphenyl)-2-N,4-N-bis[3,4,5-tris(undecylsulfanyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 91803544
6-(4-ethylphenyl)-2-N,4-N-bis(3,4,5-trioctoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 87802596
6-phenyl-2-N,4-N-bis[3,4,5-tris(octacosylsulfanyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 91596246
6-phenyl-2-N,4-N-bis(3,4,5-trioctoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 91807023
6-phenyl-2-N,4-N-bis[3,4,5-tris(hexadecylsulfanyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 91802163
6-phenyl-2-N,4-N-bis[3,4,5-tri(tetradecoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 91581321
6-phenyl-2-N,4-N-bis[3,4,5-tris(nonadecylsulfanyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 90754029
2-[4-[4-[4-(3,4-dimethylphenyl)-2,5-dihexylphenyl]-2-methylphenyl]phenyl]-4-(4-hexylphenyl)-6-(4-methylphenyl)-1,3,5-triazine
CID 90192426
2,4-bis(2,4-dimethylphenyl)-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 118244537
2-N,4-N-bis[3-(butylamino)phenyl]-6-phenyl-1,3,5-triazine-2,4-diamine
CID 21331405

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine (CID 91351410) is 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine is CCCCCCCc1cc(Nc2nc(Nc3cc(CCCCCCC)c(CCCCCCC)c(CCCCCCC)c3)nc(-c3ccc(C)cc3)n2)cc(CCCCCCC)c1CCCCCCC.
What is the InChIKey of 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GLFFZUGVJHAAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H103N5/c1-8-14-20-26-32-38-54-48-58(49-55(39-33-27-21-15-9-2)60(54)42-36-30-24-18-12-5)65-63-67-62(53-46-44-52(7)45-47-53)68-64(69-63)66-59-50-56(40-34-28-22-16-10-3)61(43-37-31-25-19-13-6)57(51-59)41-35-29-23-17-11-4/h44-51H,8-43H2,1-7H3,(H2,65,66,67,68,69).
What are the key properties of 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine?
6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 942.56 g/mol, XLogP of 20.41, 41 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-N,4-N-bis(3,4,5-triheptylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91351410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).