N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine

C161H159N11O10 — CID 158840220

About N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine

N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 158840220) has the molecular formula C161H159N11O10 and a molecular weight of 2408.11 g/mol. Its IUPAC name is N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

• Compound Name: N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine
• PubChem CID: 158840220
• Molecular Formula: C161H159N11O10
• Molecular Weight: 2408.11 g/mol
• Exact Mass: 2406.23
• IUPAC Name: N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine
• SMILES: CC(C)(c1ccc(C(C)(c2ccc3c(c2)CN(c2ccccc2)CO3)c2ccc3c(c2)CN(c2ccccc2)CO3)cc1)c1ccc2c(c1)CN(c1ccccc1)CO2.CC(C)(c1ccc2c(c1)CN(c1ccccc1)CO2)c1cc2c(c(CN(Cc3cc(C(C)(C)c4ccc5c(c4)CN(c4ccccc4)CO5)cc4c3OCN(c3ccccc3)C4)c3ccccc3)c1)OCN(c1ccccc1)C2.CN1COc2ccc(C(C)(C)c3ccc(C(C)(c4ccc5c(c4)CN(C)CO5)c4ccc5c(c4)CN(C)CO5)cc3)cc2C1
• InChI: InChI=1S/C70H67N5O4.C53H49N3O3.C38H43N3O3/c1-69(2,56-30-32-65-50(34-56)40-72(46-76-65)61-22-12-6-13-23-61)58-36-52(67-54(38-58)44-74(48-78-67)63-26-16-8-17-27-63)42-71(60-20-10-5-11-21-60)43-53-37-59(39-55-45-75(49-79-68(53)55)64-28-18-9-19-29-64)70(3,4)57-31-33-66-51(35-57)41-73(47-77-66)62-24-14-7-15-25-62;1-52(2,43-23-26-49-38(29-43)32-54(35-57-49)46-13-7-4-8-14-46)41-19-21-42(22-20-41)53(3,44-24-27-50-39(30-44)33-55(36-58-50)47-15-9-5-10-16-47)45-25-28-51-40(31-45)34-56(37-59-51)48-17-11-6-12-18-48;1-37(2,31-11-14-34-26(17-31)20-39(4)23-42-34)29-7-9-30(10-8-29)38(3,32-12-15-35-27(18-32)21-40(5)24-43-35)33-13-16-36-28(19-33)22-41(6)25-44-36/h5-39H,40-49H2,1-4H3;4-31H,32-37H2,1-3H3;7-19H,20-25H2,1-6H3
• InChIKey: IYDLNTZYNPQHRW-UHFFFAOYSA-N
• XLogP: 33.12
• TPSA: 127.94 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2408.11
LogP ≤ 5	33.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine?

The IUPAC name of N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine (CID 158840220) is N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine.

What is the SMILES notation for N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine?

The canonical SMILES for N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine is CC(C)(c1ccc(C(C)(c2ccc3c(c2)CN(c2ccccc2)CO3)c2ccc3c(c2)CN(c2ccccc2)CO3)cc1)c1ccc2c(c1)CN(c1ccccc1)CO2.CC(C)(c1ccc2c(c1)CN(c1ccccc1)CO2)c1cc2c(c(CN(Cc3cc(C(C)(C)c4ccc5c(c4)CN(c4ccccc4)CO5)cc4c3OCN(c3ccccc3)C4)c3ccccc3)c1)OCN(c1ccccc1)C2.CN1COc2ccc(C(C)(C)c3ccc(C(C)(c4ccc5c(c4)CN(C)CO5)c4ccc5c(c4)CN(C)CO5)cc3)cc2C1.

What is the InChIKey of N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine?

The InChIKey is IYDLNTZYNPQHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H67N5O4.C53H49N3O3.C38H43N3O3/c1-69(2,56-30-32-65-50(34-56)40-72(46-76-65)61-22-12-6-13-23-61)58-36-52(67-54(38-58)44-74(48-78-67)63-26-16-8-17-27-63)42-71(60-20-10-5-11-21-60)43-53-37-59(39-55-45-75(49-79-68(53)55)64-28-18-9-19-29-64)70(3,4)57-31-33-66-51(35-57)41-73(47-77-66)62-24-14-7-15-25-62;1-52(2,43-23-26-49-38(29-43)32-54(35-57-49)46-13-7-4-8-14-46)41-19-21-42(22-20-41)53(3,44-24-27-50-39(30-44)33-55(36-58-50)47-15-9-5-10-16-47)45-25-28-51-40(31-45)34-56(37-59-51)48-17-11-6-12-18-48;1-37(2,31-11-14-34-26(17-31)20-39(4)23-42-34)29-7-9-30(10-8-29)38(3,32-12-15-35-27(18-32)21-40(5)24-43-35)33-13-16-36-28(19-33)22-41(6)25-44-36/h5-39H,40-49H2,1-4H3;4-31H,32-37H2,1-3H3;7-19H,20-25H2,1-6H3.

What are the key properties of N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine?

N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 2408.11 g/mol, XLogP of 33.12, 26 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[[3-phenyl-6-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazin-8-yl]methyl]aniline;3-methyl-6-[1-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine;3-phenyl-6-[1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-1-[4-[2-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]phenyl]ethyl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 158840220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).