2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine

C171H167N35O11 — CID 159773187

IUPAC2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESC=CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.C=CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.CCCCC(CC)COC(=O)/C(C#N)=C\Nc1ccc(-c2nc3cc(C)ccc3o2)cc1.CCCCCC.CCCCCC.CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.Cc1ccc2oc(-c3ccc(Nc4nc(Nc5ccc(-c6nc7cc(C)ccc7o6)cc5)nc(NC(C)(C)C)n4)cc3)nc2c1
InChIInChI=1S/C35H32N8O2.2C33H26N8O2.C32H26N8O2.C26H29N3O3.2C6H14/c1-20-6-16-28-26(18-20)38-30(44-28)22-8-12-24(13-9-22)36-32-40-33(42-34(41-32)43-35(3,4)5)37-25-14-10-23(11-15-25)31-39-27-19-21(2)7-17-29(27)45-31;2*1-4-34-31-39-32(35-23-11-7-21(8-12-23)29-37-25-17-19(2)5-15-27(25)42-29)41-33(40-31)36-24-13-9-22(10-14-24)30-38-26-18-20(3)6-16-28(26)43-30;1-18-4-14-26-24(16-18)36-28(41-26)20-6-10-22(11-7-20)34-31-38-30(33-3)39-32(40-31)35-23-12-8-21(9-13-23)29-37-25-17-19(2)5-15-27(25)42-29;1-4-6-7-19(5-2)17-31-26(30)21(15-27)16-28-22-11-9-20(10-12-22)25-29-23-14-18(3)8-13-24(23)32-25;2*1-3-5-6-4-2/h6-19H,1-5H3,(H3,36,37,40,41,42,43);2*4-18H,1H2,2-3H3,(H3,34,35,36,39,40,41);4-17H,1-3H3,(H3,33,34,35,38,39,40);8-14,16,19,28H,4-7,17H2,1-3H3;2*3-6H2,1-2H3/b;;;;21-16-;;
InChIKeyNGJPTNXKIZYVTJ-NPSBTYRJSA-N
MW2888.45 g/mol
LogP44.29
Rot. Bonds46

About 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine

2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 159773187) has the molecular formula C171H167N35O11 and a molecular weight of 2888.45 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID159773187
Molecular FormulaC171H167N35O11
Molecular Weight2888.45 g/mol
Exact Mass2886.36
IUPAC Name2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESC=CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.C=CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.CCCCC(CC)COC(=O)/C(C#N)=C\Nc1ccc(-c2nc3cc(C)ccc3o2)cc1.CCCCCC.CCCCCC.CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.Cc1ccc2oc(-c3ccc(Nc4nc(Nc5ccc(-c6nc7cc(C)ccc7o6)cc5)nc(NC(C)(C)C)n4)cc3)nc2c1
InChIInChI=1S/C35H32N8O2.2C33H26N8O2.C32H26N8O2.C26H29N3O3.2C6H14/c1-20-6-16-28-26(18-20)38-30(44-28)22-8-12-24(13-9-22)36-32-40-33(42-34(41-32)43-35(3,4)5)37-25-14-10-23(11-15-25)31-39-27-19-21(2)7-17-29(27)45-31;2*1-4-34-31-39-32(35-23-11-7-21(8-12-23)29-37-25-17-19(2)5-15-27(25)42-29)41-33(40-31)36-24-13-9-22(10-14-24)30-38-26-18-20(3)6-16-28(26)43-30;1-18-4-14-26-24(16-18)36-28(41-26)20-6-10-22(11-7-20)34-31-38-30(33-3)39-32(40-31)35-23-12-8-21(9-13-23)29-37-25-17-19(2)5-15-27(25)42-29;1-4-6-7-19(5-2)17-31-26(30)21(15-27)16-28-22-11-9-20(10-12-22)25-29-23-14-18(3)8-13-24(23)32-25;2*1-3-5-6-4-2/h6-19H,1-5H3,(H3,36,37,40,41,42,43);2*4-18H,1H2,2-3H3,(H3,34,35,36,39,40,41);4-17H,1-3H3,(H3,33,34,35,38,39,40);8-14,16,19,28H,4-7,17H2,1-3H3;2*3-6H2,1-2H3/b;;;;21-16-;;
InChIKeyNGJPTNXKIZYVTJ-NPSBTYRJSA-N
XLogP44.29
TPSA595.43 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds46
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002888.45
LogP ≤ 544.29
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 159773187) is 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine is C=CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.C=CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.CCCCC(CC)COC(=O)/C(C#N)=C\Nc1ccc(-c2nc3cc(C)ccc3o2)cc1.CCCCCC.CCCCCC.CNc1nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)nc(Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)n1.Cc1ccc2oc(-c3ccc(Nc4nc(Nc5ccc(-c6nc7cc(C)ccc7o6)cc5)nc(NC(C)(C)C)n4)cc3)nc2c1.
What is the InChIKey of 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NGJPTNXKIZYVTJ-NPSBTYRJSA-N. The full InChI is InChI=1S/C35H32N8O2.2C33H26N8O2.C32H26N8O2.C26H29N3O3.2C6H14/c1-20-6-16-28-26(18-20)38-30(44-28)22-8-12-24(13-9-22)36-32-40-33(42-34(41-32)43-35(3,4)5)37-25-14-10-23(11-15-25)31-39-27-19-21(2)7-17-29(27)45-31;2*1-4-34-31-39-32(35-23-11-7-21(8-12-23)29-37-25-17-19(2)5-15-27(25)42-29)41-33(40-31)36-24-13-9-22(10-14-24)30-38-26-18-20(3)6-16-28(26)43-30;1-18-4-14-26-24(16-18)36-28(41-26)20-6-10-22(11-7-20)34-31-38-30(33-3)39-32(40-31)35-23-12-8-21(9-13-23)29-37-25-17-19(2)5-15-27(25)42-29;1-4-6-7-19(5-2)17-31-26(30)21(15-27)16-28-22-11-9-20(10-12-22)25-29-23-14-18(3)8-13-24(23)32-25;2*1-3-5-6-4-2/h6-19H,1-5H3,(H3,36,37,40,41,42,43);2*4-18H,1H2,2-3H3,(H3,34,35,36,39,40,41);4-17H,1-3H3,(H3,33,34,35,38,39,40);8-14,16,19,28H,4-7,17H2,1-3H3;2*3-6H2,1-2H3/b;;;;21-16-;;.
What are the key properties of 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine?
2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2888.45 g/mol, XLogP of 44.29, 46 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N,6-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine;bis(6-N-ethenyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine);2-ethylhexyl (Z)-2-cyano-3-[4-(5-methyl-1,3-benzoxazol-2-yl)anilino]prop-2-enoate;bis(hexane);6-N-methyl-2-N,4-N-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 159773187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).