ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane

C97H168N4O9 — CID 158787030

IUPACethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CCC.CCC.CCCc1nc(CCC)nc(NCC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/3C15H20O2.C11H20N4.3C6H6O.2C3H8.7C2H6.3CH4/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-4-7-9-13-10(8-5-2)15-11(14-9)12-6-3;3*7-6-4-2-1-3-5-6;2*1-3-2;7*1-2;;;/h3*3-7,9,13-14,16-17H,8,10H2,1-2H3;4-8H2,1-3H3,(H,12,13,14,15);3*1-5,7H;2*3H2,1-2H3;7*1-2H3;3*1H4
InChIKeyIRUSEJMROQLGPQ-UHFFFAOYSA-N
MW1534.43 g/mol
LogP25.83
Rot. Bonds12

About ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane

ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane (PubChem CID 158787030) has the molecular formula C97H168N4O9 and a molecular weight of 1534.43 g/mol. Its IUPAC name is ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane.

Molecular Properties

Compound Nameethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane
PubChem CID158787030
Molecular FormulaC97H168N4O9
Molecular Weight1534.43 g/mol
Exact Mass1533.28
IUPAC Nameethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CCC.CCC.CCCc1nc(CCC)nc(NCC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/3C15H20O2.C11H20N4.3C6H6O.2C3H8.7C2H6.3CH4/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-4-7-9-13-10(8-5-2)15-11(14-9)12-6-3;3*7-6-4-2-1-3-5-6;2*1-3-2;7*1-2;;;/h3*3-7,9,13-14,16-17H,8,10H2,1-2H3;4-8H2,1-3H3,(H,12,13,14,15);3*1-5,7H;2*3H2,1-2H3;7*1-2H3;3*1H4
InChIKeyIRUSEJMROQLGPQ-UHFFFAOYSA-N
XLogP25.83
TPSA232.77 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001534.43
LogP ≤ 525.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane 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 ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane?
The IUPAC name of ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane (CID 158787030) is ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane.
What is the SMILES notation for ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane?
The canonical SMILES for ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CC(C)(C1=CCC(O)C=C1)C1=CCC(O)C=C1.CCC.CCC.CCCc1nc(CCC)nc(NCC)n1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane?
The InChIKey is IRUSEJMROQLGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H20O2.C11H20N4.3C6H6O.2C3H8.7C2H6.3CH4/c3*1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;1-4-7-9-13-10(8-5-2)15-11(14-9)12-6-3;3*7-6-4-2-1-3-5-6;2*1-3-2;7*1-2;;;/h3*3-7,9,13-14,16-17H,8,10H2,1-2H3;4-8H2,1-3H3,(H,12,13,14,15);3*1-5,7H;2*3H2,1-2H3;7*1-2H3;3*1H4.
What are the key properties of ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane?
ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane has a molecular weight of 1534.43 g/mol, XLogP of 25.83, 12 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4,6-dipropyl-1,3,5-triazin-2-amine;tris(4-[2-(4-hydroxycyclohexa-1,5-dien-1-yl)propan-2-yl]cyclohexa-2,4-dien-1-ol);methane;phenol;propane is sourced from PubChem (CID 158787030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).