About 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane
4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane (PubChem CID 157381860) has the molecular formula C252H258Br6N14O14P8
and a molecular weight of 4434.14 g/mol. Its IUPAC name is 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane.
Frequently Asked Questions
What is the IUPAC name of 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane?
The IUPAC name of 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane (CID 157381860) is 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane.
What is the SMILES notation for 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane?
The canonical SMILES for 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane is Brc1ccc2c(c1-c1c(Br)ccc3c1OCCN3)OCCN2.Brc1ccc2c(c1-c1c(Br)ccc3c1OCCN3Cc1ccccc1)OCCN2Cc1ccccc1.CN1CCOc2c1ccc(Br)c2-c1c(Br)ccc2c1OCCN2C.CN1CCOc2c1ccc(P(C1CCCCC1)C1CCCCC1)c2-c1c(P(C2CCCCC2)C2CCCCC2)ccc2c1OCCN2C.CN1CCOc2c1ccc(P(c1ccccc1)c1ccccc1)c2-c1c(P(c2ccccc2)c2ccccc2)ccc2c1OCCN2C.Cc1cccc(C)c1P(c1ccc2c(c1-c1c(P(c3c(C)cccc3C)c3c(C)cccc3C)ccc3c1OCCN3C)OCCN2C)c1c(C)cccc1C.c1ccc(CN2CCOc3c2ccc(P(c2ccccc2)c2ccccc2)c3-c2c(P(c3ccccc3)c3ccccc3)ccc3c2OCCN3Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane?
The InChIKey is BKZAYQUCIDJMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2O2P2.C50H54N2O2P2.C42H62N2O2P2.C42H38N2O2P2.C30H26Br2N2O2.C18H18Br2N2O2.C16H14Br2N2O2/c1-7-19-41(20-8-1)39-55-35-37-57-53-47(55)31-33-49(59(43-23-11-3-12-24-43)44-25-13-4-14-26-44)51(53)52-50(60(45-27-15-5-16-28-45)46-29-17-6-18-30-46)34-32-48-54(52)58-38-36-56(48)40-42-21-9-2-10-22-42;1-31-15-11-16-32(2)47(31)55(48-33(3)17-12-18-34(48)4)41-25-23-39-45(53-29-27-51(39)9)43(41)44-42(26-24-40-46(44)54-30-28-52(40)10)56(49-35(5)19-13-20-36(49)6)50-37(7)21-14-22-38(50)8;2*1-43-27-29-45-41-35(43)23-25-37(47(31-15-7-3-8-16-31)32-17-9-4-10-18-32)39(41)40-38(26-24-36-42(40)46-30-28-44(36)2)48(33-19-11-5-12-20-33)34-21-13-6-14-22-34;31-23-11-13-25-29(35-17-15-33(25)19-21-7-3-1-4-8-21)27(23)28-24(32)12-14-26-30(28)36-18-16-34(26)20-22-9-5-2-6-10-22;1-21-7-9-23-17-13(21)5-3-11(19)15(17)16-12(20)4-6-14-18(16)24-10-8-22(14)2;17-9-1-3-11-15(21-7-5-19-11)13(9)14-10(18)2-4-12-16(14)22-8-6-20-12/h1-34H,35-40H2;11-26H,27-30H2,1-10H3;23-26,31-34H,3-22,27-30H2,1-2H3;3-26H,27-30H2,1-2H3;1-14H,15-20H2;3-6H,7-10H2,1-2H3;1-4,19-20H,5-8H2.
What are the key properties of 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane?
4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane has a molecular weight of 4434.14 g/mol, XLogP of 52.45, 39 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-(4-benzyl-7-bromo-2,3-dihydro-1,4-benzoxazin-8-yl)-7-bromo-2,3-dihydro-1,4-benzoxazine;[4-benzyl-8-(4-benzyl-7-diphenylphosphanyl-2,3-dihydro-1,4-benzoxazin-8-yl)-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane;[8-[7-bis(2,6-dimethylphenyl)phosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl]-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-bis(2,6-dimethylphenyl)phosphane;7-bromo-8-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)-3,4-dihydro-2H-1,4-benzoxazine;7-bromo-8-(7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine;dicyclohexyl-[8-(7-dicyclohexylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]phosphane;[8-(7-diphenylphosphanyl-4-methyl-2,3-dihydro-1,4-benzoxazin-8-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-diphenylphosphane is sourced from PubChem (CID 157381860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).