2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one

C270H157N25O39S8 — CID 158569726

IUPAC2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one
SMILESO=C(c1cc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)[nH]c3ccccc23)cc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)[nH]c3ccccc23)c1)c1c(-c2nc3ccccc3c(=O)o2)[nH]c2ccccc12.O=C(c1ccc(C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)s2)s1)c1ccc(-c2nc3ccccc3c(=O)o2)s1.O=c1oc(-c2[nH]c3ccccc3c2Cc2cc(Cc3c(-c4nc5ccccc5c(=O)o4)[nH]c4ccccc34)cc(Cc3c(-c4nc5ccccc5c(=O)o4)[nH]c4ccccc34)c2)nc2ccccc12.O=c1oc(-c2cc3ccccc3[nH]2)nc2ccc(OCCOc3ccc4nc(-c5cc6ccccc6[nH]5)oc(=O)c4c3)cc12.O=c1oc(-c2ccc(-c3ccc(-c4nc5ccccc5c(=O)o4)s3)s2)nc2ccccc12.O=c1oc(-c2ccc(Cc3ccc(Cc4c(-c5nc6ccccc6c(=O)o5)[nH]c5ccccc45)cc3)s2)nc2ccccc12.O=c1oc(-c2ccc(Cc3cccc(Cc4ccc(-c5nc6ccccc6c(=O)o5)s4)c3)s2)nc2ccccc12
InChIInChI=1S/C57H30N6O9.C57H36N6O6.C36H23N3O4S.C34H22N4O6.C32H20N2O4S2.C30H14N2O6S3.C24H12N2O4S2/c64-49(43-31-13-1-7-19-37(31)58-46(43)52-61-40-22-10-4-16-34(40)55(67)70-52)28-25-29(50(65)44-32-14-2-8-20-38(32)59-47(44)53-62-41-23-11-5-17-35(41)56(68)71-53)27-30(26-28)51(66)45-33-15-3-9-21-39(33)60-48(45)54-63-42-24-12-6-18-36(42)57(69)72-54;64-55-37-16-4-10-22-46(37)61-52(67-55)49-40(34-13-1-7-19-43(34)58-49)28-31-25-32(29-41-35-14-2-8-20-44(35)59-50(41)53-62-47-23-11-5-17-38(47)56(65)68-53)27-33(26-31)30-42-36-15-3-9-21-45(36)60-51(42)54-63-48-24-12-6-18-39(48)57(66)69-54;40-35-25-8-2-5-11-29(25)38-33(42-35)31-18-17-23(44-31)19-21-13-15-22(16-14-21)20-27-24-7-1-4-10-28(24)37-32(27)34-39-30-12-6-3-9-26(30)36(41)43-34;39-33-23-17-21(9-11-27(23)37-31(43-33)29-15-19-5-1-3-7-25(19)35-29)41-13-14-42-22-10-12-28-24(18-22)34(40)44-32(38-28)30-16-20-6-2-4-8-26(20)36-30;35-31-23-8-1-3-10-25(23)33-29(37-31)27-14-12-21(39-27)17-19-6-5-7-20(16-19)18-22-13-15-28(40-22)30-34-26-11-4-2-9-24(26)32(36)38-30;33-25(21-11-13-23(40-21)27-31-17-7-3-1-5-15(17)29(35)37-27)19-9-10-20(39-19)26(34)22-12-14-24(41-22)28-32-18-8-4-2-6-16(18)30(36)38-28;27-23-13-5-1-3-7-15(13)25-21(29-23)19-11-9-17(31-19)18-10-12-20(32-18)22-26-16-8-4-2-6-14(16)24(28)30-22/h1-27,58-60H;1-27,58-60H,28-30H2;1-18,37H,19-20H2;1-12,15-18,35-36H,13-14H2;1-16H,17-18H2;1-14H;1-12H
InChIKeyHRXUWEOSGMIWKC-UHFFFAOYSA-N
MW4631.90 g/mol
LogP55.74
Rot. Bonds46

About 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one

2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one (PubChem CID 158569726) has the molecular formula C270H157N25O39S8 and a molecular weight of 4631.90 g/mol. Its IUPAC name is 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one
PubChem CID158569726
Molecular FormulaC270H157N25O39S8
Molecular Weight4631.90 g/mol
Exact Mass4627.88
IUPAC Name2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one
SMILESO=C(c1cc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)[nH]c3ccccc23)cc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)[nH]c3ccccc23)c1)c1c(-c2nc3ccccc3c(=O)o2)[nH]c2ccccc12.O=C(c1ccc(C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)s2)s1)c1ccc(-c2nc3ccccc3c(=O)o2)s1.O=c1oc(-c2[nH]c3ccccc3c2Cc2cc(Cc3c(-c4nc5ccccc5c(=O)o4)[nH]c4ccccc34)cc(Cc3c(-c4nc5ccccc5c(=O)o4)[nH]c4ccccc34)c2)nc2ccccc12.O=c1oc(-c2cc3ccccc3[nH]2)nc2ccc(OCCOc3ccc4nc(-c5cc6ccccc6[nH]5)oc(=O)c4c3)cc12.O=c1oc(-c2ccc(-c3ccc(-c4nc5ccccc5c(=O)o4)s3)s2)nc2ccccc12.O=c1oc(-c2ccc(Cc3ccc(Cc4c(-c5nc6ccccc6c(=O)o5)[nH]c5ccccc45)cc3)s2)nc2ccccc12.O=c1oc(-c2ccc(Cc3cccc(Cc4ccc(-c5nc6ccccc6c(=O)o5)s4)c3)s2)nc2ccccc12
InChIInChI=1S/C57H30N6O9.C57H36N6O6.C36H23N3O4S.C34H22N4O6.C32H20N2O4S2.C30H14N2O6S3.C24H12N2O4S2/c64-49(43-31-13-1-7-19-37(31)58-46(43)52-61-40-22-10-4-16-34(40)55(67)70-52)28-25-29(50(65)44-32-14-2-8-20-38(32)59-47(44)53-62-41-23-11-5-17-35(41)56(68)71-53)27-30(26-28)51(66)45-33-15-3-9-21-39(33)60-48(45)54-63-42-24-12-6-18-36(42)57(69)72-54;64-55-37-16-4-10-22-46(37)61-52(67-55)49-40(34-13-1-7-19-43(34)58-49)28-31-25-32(29-41-35-14-2-8-20-44(35)59-50(41)53-62-47-23-11-5-17-38(47)56(65)68-53)27-33(26-31)30-42-36-15-3-9-21-45(36)60-51(42)54-63-48-24-12-6-18-39(48)57(66)69-54;40-35-25-8-2-5-11-29(25)38-33(42-35)31-18-17-23(44-31)19-21-13-15-22(16-14-21)20-27-24-7-1-4-10-28(24)37-32(27)34-39-30-12-6-3-9-26(30)36(41)43-34;39-33-23-17-21(9-11-27(23)37-31(43-33)29-15-19-5-1-3-7-25(19)35-29)41-13-14-42-22-10-12-28-24(18-22)34(40)44-32(38-28)30-16-20-6-2-4-8-26(20)36-30;35-31-23-8-1-3-10-25(23)33-29(37-31)27-14-12-21(39-27)17-19-6-5-7-20(16-19)18-22-13-15-28(40-22)30-34-26-11-4-2-9-24(26)32(36)38-30;33-25(21-11-13-23(40-21)27-31-17-7-3-1-5-15(17)29(35)37-27)19-9-10-20(39-19)26(34)22-12-14-24(41-22)28-32-18-8-4-2-6-16(18)30(36)38-28;27-23-13-5-1-3-7-15(13)25-21(29-23)19-11-9-17(31-19)18-10-12-20(32-18)22-26-16-8-4-2-6-14(16)24(28)30-22/h1-27,58-60H;1-27,58-60H,28-30H2;1-18,37H,19-20H2;1-12,15-18,35-36H,13-14H2;1-16H,17-18H2;1-14H;1-12H
InChIKeyHRXUWEOSGMIWKC-UHFFFAOYSA-N
XLogP55.74
TPSA935.52 Ų
H-Bond Donors9
H-Bond Acceptors63
Rotatable Bonds46
Heavy Atoms342
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004631.90
LogP ≤ 555.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1063

Analyze 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one?
The IUPAC name of 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one (CID 158569726) is 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one is O=C(c1cc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)[nH]c3ccccc23)cc(C(=O)c2c(-c3nc4ccccc4c(=O)o3)[nH]c3ccccc23)c1)c1c(-c2nc3ccccc3c(=O)o2)[nH]c2ccccc12.O=C(c1ccc(C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)s2)s1)c1ccc(-c2nc3ccccc3c(=O)o2)s1.O=c1oc(-c2[nH]c3ccccc3c2Cc2cc(Cc3c(-c4nc5ccccc5c(=O)o4)[nH]c4ccccc34)cc(Cc3c(-c4nc5ccccc5c(=O)o4)[nH]c4ccccc34)c2)nc2ccccc12.O=c1oc(-c2cc3ccccc3[nH]2)nc2ccc(OCCOc3ccc4nc(-c5cc6ccccc6[nH]5)oc(=O)c4c3)cc12.O=c1oc(-c2ccc(-c3ccc(-c4nc5ccccc5c(=O)o4)s3)s2)nc2ccccc12.O=c1oc(-c2ccc(Cc3ccc(Cc4c(-c5nc6ccccc6c(=O)o5)[nH]c5ccccc45)cc3)s2)nc2ccccc12.O=c1oc(-c2ccc(Cc3cccc(Cc4ccc(-c5nc6ccccc6c(=O)o5)s4)c3)s2)nc2ccccc12.
What is the InChIKey of 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one?
The InChIKey is HRXUWEOSGMIWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H30N6O9.C57H36N6O6.C36H23N3O4S.C34H22N4O6.C32H20N2O4S2.C30H14N2O6S3.C24H12N2O4S2/c64-49(43-31-13-1-7-19-37(31)58-46(43)52-61-40-22-10-4-16-34(40)55(67)70-52)28-25-29(50(65)44-32-14-2-8-20-38(32)59-47(44)53-62-41-23-11-5-17-35(41)56(68)71-53)27-30(26-28)51(66)45-33-15-3-9-21-39(33)60-48(45)54-63-42-24-12-6-18-36(42)57(69)72-54;64-55-37-16-4-10-22-46(37)61-52(67-55)49-40(34-13-1-7-19-43(34)58-49)28-31-25-32(29-41-35-14-2-8-20-44(35)59-50(41)53-62-47-23-11-5-17-38(47)56(65)68-53)27-33(26-31)30-42-36-15-3-9-21-45(36)60-51(42)54-63-48-24-12-6-18-39(48)57(66)69-54;40-35-25-8-2-5-11-29(25)38-33(42-35)31-18-17-23(44-31)19-21-13-15-22(16-14-21)20-27-24-7-1-4-10-28(24)37-32(27)34-39-30-12-6-3-9-26(30)36(41)43-34;39-33-23-17-21(9-11-27(23)37-31(43-33)29-15-19-5-1-3-7-25(19)35-29)41-13-14-42-22-10-12-28-24(18-22)34(40)44-32(38-28)30-16-20-6-2-4-8-26(20)36-30;35-31-23-8-1-3-10-25(23)33-29(37-31)27-14-12-21(39-27)17-19-6-5-7-20(16-19)18-22-13-15-28(40-22)30-34-26-11-4-2-9-24(26)32(36)38-30;33-25(21-11-13-23(40-21)27-31-17-7-3-1-5-15(17)29(35)37-27)19-9-10-20(39-19)26(34)22-12-14-24(41-22)28-32-18-8-4-2-6-16(18)30(36)38-28;27-23-13-5-1-3-7-15(13)25-21(29-23)19-11-9-17(31-19)18-10-12-20(32-18)22-26-16-8-4-2-6-14(16)24(28)30-22/h1-27,58-60H;1-27,58-60H,28-30H2;1-18,37H,19-20H2;1-12,15-18,35-36H,13-14H2;1-16H,17-18H2;1-14H;1-12H.
What are the key properties of 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one?
2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one has a molecular weight of 4631.90 g/mol, XLogP of 55.74, 46 rotatable bonds, 9 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indole-3-carbonyl]benzoyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-[3-[[3,5-bis[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]-1H-indol-2-yl]-3,1-benzoxazin-4-one;2-(1H-indol-2-yl)-6-[2-[[2-(1H-indol-2-yl)-4-oxo-3,1-benzoxazin-6-yl]oxy]ethoxy]-3,1-benzoxazin-4-one;2-[5-[[4-[[2-(4-oxo-3,1-benzoxazin-2-yl)-1H-indol-3-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophene-2-carbonyl]thiophene-2-carbonyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[[3-[[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]methyl]phenyl]methyl]thiophen-2-yl]-3,1-benzoxazin-4-one;2-[5-[5-(4-oxo-3,1-benzoxazin-2-yl)thiophen-2-yl]thiophen-2-yl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 158569726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).