tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine

C138H146N6O8 — CID 157267403

About tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine

tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 157267403) has the molecular formula C138H146N6O8 and a molecular weight of 2016.72 g/mol. Its IUPAC name is tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

• Compound Name: tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
• PubChem CID: 157267403
• Molecular Formula: C138H146N6O8
• Molecular Weight: 2016.72 g/mol
• Exact Mass: 2015.12
• IUPAC Name: tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
• SMILES: C=CCC.C=CCC.C=CCC.C=CCC.CC(C)(c1ccc(C2COc3ccccc3C2)cc1)c1ccc(N2COc3ccccc3C2)cc1.CC(C)(c1ccc2c(c1)CN(c1ccccc1)CO2)c1ccc2c(c1)CN(c1ccccc1)CO2.c1ccc(N2COc3ccc(Cc4ccc5c(c4)CN(c4ccccc4)CO5)cc3C2)cc1.c1ccc2c(c1)CC(c1ccc(Cc3ccc(N4COc5ccccc5C4)cc3)cc1)CO2
• InChI: InChI=1S/C32H31NO2.C31H30N2O2.C30H27NO2.C29H26N2O2.4C4H8/c1-32(2,27-13-11-23(12-14-27)26-19-24-7-3-5-9-30(24)34-21-26)28-15-17-29(18-16-28)33-20-25-8-4-6-10-31(25)35-22-33;1-31(2,25-13-15-29-23(17-25)19-32(21-34-29)27-9-5-3-6-10-27)26-14-16-30-24(18-26)20-33(22-35-30)28-11-7-4-8-12-28;1-3-7-29-25(5-1)18-27(20-32-29)24-13-9-22(10-14-24)17-23-11-15-28(16-12-23)31-19-26-6-2-4-8-30(26)33-21-31;1-3-7-26(8-4-1)30-18-24-16-22(11-13-28(24)32-20-30)15-23-12-14-29-25(17-23)19-31(21-33-29)27-9-5-2-6-10-27;4*1-3-4-2/h3-18,26H,19-22H2,1-2H3;3-18H,19-22H2,1-2H3;1-16,27H,17-21H2;1-14,16-17H,15,18-21H2;4*3H,1,4H2,2H3
• InChIKey: AYDRXSGQUZCVBK-UHFFFAOYSA-N
• XLogP: 32.49
• TPSA: 93.28 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.72
LogP ≤ 5	32.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?

The IUPAC name of tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine (CID 157267403) is tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine.

What is the SMILES notation for tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?

The canonical SMILES for tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine is C=CCC.C=CCC.C=CCC.C=CCC.CC(C)(c1ccc(C2COc3ccccc3C2)cc1)c1ccc(N2COc3ccccc3C2)cc1.CC(C)(c1ccc2c(c1)CN(c1ccccc1)CO2)c1ccc2c(c1)CN(c1ccccc1)CO2.c1ccc(N2COc3ccc(Cc4ccc5c(c4)CN(c4ccccc4)CO5)cc3C2)cc1.c1ccc2c(c1)CC(c1ccc(Cc3ccc(N4COc5ccccc5C4)cc3)cc1)CO2.

What is the InChIKey of tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?

The InChIKey is AYDRXSGQUZCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31NO2.C31H30N2O2.C30H27NO2.C29H26N2O2.4C4H8/c1-32(2,27-13-11-23(12-14-27)26-19-24-7-3-5-9-30(24)34-21-26)28-15-17-29(18-16-28)33-20-25-8-4-6-10-31(25)35-22-33;1-31(2,25-13-15-29-23(17-25)19-32(21-34-29)27-9-5-3-6-10-27)26-14-16-30-24(18-26)20-33(22-35-30)28-11-7-4-8-12-28;1-3-7-29-25(5-1)18-27(20-32-29)24-13-9-22(10-14-24)17-23-11-15-28(16-12-23)31-19-26-6-2-4-8-30(26)33-21-31;1-3-7-26(8-4-1)30-18-24-16-22(11-13-28(24)32-20-30)15-23-12-14-29-25(17-23)19-31(21-33-29)27-9-5-2-6-10-27;4*1-3-4-2/h3-18,26H,19-22H2,1-2H3;3-18H,19-22H2,1-2H3;1-16,27H,17-21H2;1-14,16-17H,15,18-21H2;4*3H,1,4H2,2H3.

What are the key properties of tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?

tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 2016.72 g/mol, XLogP of 32.49, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(but-1-ene);3-[4-[[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]methyl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-[4-[2-[4-(3,4-dihydro-2H-chromen-3-yl)phenyl]propan-2-yl]phenyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)methyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 157267403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).