2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

C84H120N12O15 — CID 90969454

IUPAC2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)CCOc1ccc(Nc2nc(Nc3ccc(OCCC(C)C)c(OCCC(C)C)c3)nc(Nc3ccc(OCCC(C)C)c(OCCC(C)C)c3)n2)cc1OCCC(C)C.COc1cc(N(C)c2nc(N(C)c3cc(OC)c(OC)c(OC)c3)nc(N(C)c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC
InChIInChI=1S/C51H78N6O6.C33H42N6O9/c1-34(2)19-25-58-43-16-13-40(31-46(43)61-28-22-37(7)8)52-49-55-50(53-41-14-17-44(59-26-20-35(3)4)47(32-41)62-29-23-38(9)10)57-51(56-49)54-42-15-18-45(60-27-21-36(5)6)48(33-42)63-30-24-39(11)12;1-37(19-13-22(40-4)28(46-10)23(14-19)41-5)31-34-32(38(2)20-15-24(42-6)29(47-11)25(16-20)43-7)36-33(35-31)39(3)21-17-26(44-8)30(48-12)27(18-21)45-9/h13-18,31-39H,19-30H2,1-12H3,(H3,52,53,54,55,56,57);13-18H,1-12H3
InChIKeyOZXPRYGCCHSMIW-UHFFFAOYSA-N
MW1537.95 g/mol
LogP18.90
Rot. Bonds45

About 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 90969454) has the molecular formula C84H120N12O15 and a molecular weight of 1537.95 g/mol. Its IUPAC name is 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID90969454
Molecular FormulaC84H120N12O15
Molecular Weight1537.95 g/mol
Exact Mass1536.90
IUPAC Name2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)CCOc1ccc(Nc2nc(Nc3ccc(OCCC(C)C)c(OCCC(C)C)c3)nc(Nc3ccc(OCCC(C)C)c(OCCC(C)C)c3)n2)cc1OCCC(C)C.COc1cc(N(C)c2nc(N(C)c3cc(OC)c(OC)c(OC)c3)nc(N(C)c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC
InChIInChI=1S/C51H78N6O6.C33H42N6O9/c1-34(2)19-25-58-43-16-13-40(31-46(43)61-28-22-37(7)8)52-49-55-50(53-41-14-17-44(59-26-20-35(3)4)47(32-41)62-29-23-38(9)10)57-51(56-49)54-42-15-18-45(60-27-21-36(5)6)48(33-42)63-30-24-39(11)12;1-37(19-13-22(40-4)28(46-10)23(14-19)41-5)31-34-32(38(2)20-15-24(42-6)29(47-11)25(16-20)43-7)36-33(35-31)39(3)21-17-26(44-8)30(48-12)27(18-21)45-9/h13-18,31-39H,19-30H2,1-12H3,(H3,52,53,54,55,56,57);13-18H,1-12H3
InChIKeyOZXPRYGCCHSMIW-UHFFFAOYSA-N
XLogP18.90
TPSA261.60 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds45
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.95
LogP ≤ 518.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
CID 23527673
2-N-(4-methoxyphenyl)-2-N-methyl-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536634
2-methyl-5-[[4-(3,4,5-trimethoxy-N-methylanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535781
N-methyl-3,4-bis(3,7,11,15-tetramethylhexadecoxy)aniline
CID 22974817
4-N-(3,4-dimethoxyphenyl)-2-N-methyl-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 23536418
N-(4-methoxyphenoxy)-4-(3-methylbutoxy)aniline
CID 143182221
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925313
2-methyl-5-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
CID 23535780
4-N-[1-(phosphanylmethyl)indol-5-yl]-2-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 142056646
N'-[3-bromo-4-(3-methylbutoxy)benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 17339516
1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene
CID 91656797
[3-methoxy-4-(3-methylbutoxy)phenyl]methanethiol
CID 123919756

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 90969454) is 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine is CC(C)CCOc1ccc(Nc2nc(Nc3ccc(OCCC(C)C)c(OCCC(C)C)c3)nc(Nc3ccc(OCCC(C)C)c(OCCC(C)C)c3)n2)cc1OCCC(C)C.COc1cc(N(C)c2nc(N(C)c3cc(OC)c(OC)c(OC)c3)nc(N(C)c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC.
What is the InChIKey of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OZXPRYGCCHSMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H78N6O6.C33H42N6O9/c1-34(2)19-25-58-43-16-13-40(31-46(43)61-28-22-37(7)8)52-49-55-50(53-41-14-17-44(59-26-20-35(3)4)47(32-41)62-29-23-38(9)10)57-51(56-49)54-42-15-18-45(60-27-21-36(5)6)48(33-42)63-30-24-39(11)12;1-37(19-13-22(40-4)28(46-10)23(14-19)41-5)31-34-32(38(2)20-15-24(42-6)29(47-11)25(16-20)43-7)36-33(35-31)39(3)21-17-26(44-8)30(48-12)27(18-21)45-9/h13-18,31-39H,19-30H2,1-12H3,(H3,52,53,54,55,56,57);13-18H,1-12H3.
What are the key properties of 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1537.95 g/mol, XLogP of 18.90, 45 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-trimethyl-2-N,4-N,6-N-tris(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4,6-triamine;2-N,4-N,6-N-tris[3,4-bis(3-methylbutoxy)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 90969454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).