bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate

C200H140Br8N12O40 — CID 162177388

About bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate

bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate (PubChem CID 162177388) has the molecular formula C200H140Br8N12O40 and a molecular weight of 3990.60 g/mol. Its IUPAC name is bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate.

Molecular Properties

• Compound Name: bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate
• PubChem CID: 162177388
• Molecular Formula: C200H140Br8N12O40
• Molecular Weight: 3990.60 g/mol
• Exact Mass: 3980.28
• IUPAC Name: bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate
• SMILES: O=C(CC(=O)OCCc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)OCCc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.O=C(CCCC(=O)OCCc1cccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c1)OCCc1cccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c1.O=C(NCNC(=O)OCCc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)OCCc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.O=C(NCNC(=O)OCc1ccc(-c2ccc(Nc3ccc(O)c4c3C(=O)c3ccccc3C4=O)cc2)cc1)OCc1ccc(-c2ccc(Nc3ccc(O)c4c3C(=O)c3ccccc3C4=O)cc2)cc1
• InChI: InChI=1S/C57H40N4O10.C49H38N2O10.C47H32Br4N4O10.C47H30Br4N2O10/c62-46-27-25-44(48-50(46)54(66)42-7-3-1-5-40(42)52(48)64)60-38-21-17-36(18-22-38)34-13-9-32(10-14-34)29-70-56(68)58-31-59-57(69)71-30-33-11-15-35(16-12-33)37-19-23-39(24-20-37)61-45-26-28-47(63)51-49(45)53(65)41-6-2-4-8-43(41)55(51)67;52-38-20-18-36(42-44(38)48(58)34-14-3-1-12-32(34)46(42)56)50-30-10-5-8-28(26-30)22-24-60-40(54)16-7-17-41(55)61-25-23-29-9-6-11-31(27-29)51-37-19-21-39(53)45-43(37)47(57)33-13-2-4-15-35(33)49(45)59;48-28-19-30(50)34(54-32-9-11-36(56)40-38(32)42(58)24-5-1-3-7-26(24)44(40)60)17-22(28)13-15-64-46(62)52-21-53-47(63)65-16-14-23-18-35(31(51)20-29(23)49)55-33-10-12-37(57)41-39(33)43(59)25-6-2-4-8-27(25)45(41)61;48-28-19-30(50)34(52-32-9-11-36(54)42-40(32)44(58)24-5-1-3-7-26(24)46(42)60)17-22(28)13-15-62-38(56)21-39(57)63-16-14-23-18-35(31(51)20-29(23)49)53-33-10-12-37(55)43-41(33)45(59)25-6-2-4-8-27(25)47(43)61/h1-28,60-63H,29-31H2,(H,58,68)(H,59,69);1-6,8-15,18-21,26-27,50-53H,7,16-17,22-25H2;1-12,17-20,54-57H,13-16,21H2,(H,52,62)(H,53,63);1-12,17-20,52-55H,13-16,21H2
• InChIKey: ZOOIOMIJFFJVGP-UHFFFAOYSA-N
• XLogP: 39.59
• TPSA: 789.72 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 48
• Rotatable Bonds: 50
• Heavy Atoms: 260
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3990.60
LogP ≤ 5	39.59
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate?

The IUPAC name of bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate (CID 162177388) is bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate.

What is the SMILES notation for bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate?

The canonical SMILES for bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate is O=C(CC(=O)OCCc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)OCCc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.O=C(CCCC(=O)OCCc1cccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c1)OCCc1cccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c1.O=C(NCNC(=O)OCCc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br)OCCc1cc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)cc1Br.O=C(NCNC(=O)OCc1ccc(-c2ccc(Nc3ccc(O)c4c3C(=O)c3ccccc3C4=O)cc2)cc1)OCc1ccc(-c2ccc(Nc3ccc(O)c4c3C(=O)c3ccccc3C4=O)cc2)cc1.

What is the InChIKey of bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate?

The InChIKey is ZOOIOMIJFFJVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4O10.C49H38N2O10.C47H32Br4N4O10.C47H30Br4N2O10/c62-46-27-25-44(48-50(46)54(66)42-7-3-1-5-40(42)52(48)64)60-38-21-17-36(18-22-38)34-13-9-32(10-14-34)29-70-56(68)58-31-59-57(69)71-30-33-11-15-35(16-12-33)37-19-23-39(24-20-37)61-45-26-28-47(63)51-49(45)53(65)41-6-2-4-8-43(41)55(51)67;52-38-20-18-36(42-44(38)48(58)34-14-3-1-12-32(34)46(42)56)50-30-10-5-8-28(26-30)22-24-60-40(54)16-7-17-41(55)61-25-23-29-9-6-11-31(27-29)51-37-19-21-39(53)45-43(37)47(57)33-13-2-4-15-35(33)49(45)59;48-28-19-30(50)34(54-32-9-11-36(56)40-38(32)42(58)24-5-1-3-7-26(24)44(40)60)17-22(28)13-15-64-46(62)52-21-53-47(63)65-16-14-23-18-35(31(51)20-29(23)49)55-33-10-12-37(57)41-39(33)43(59)25-6-2-4-8-27(25)45(41)61;48-28-19-30(50)34(52-32-9-11-36(54)42-40(32)44(58)24-5-1-3-7-26(24)46(42)60)17-22(28)13-15-62-38(56)21-39(57)63-16-14-23-18-35(31(51)20-29(23)49)53-33-10-12-37(55)43-41(33)45(59)25-6-2-4-8-27(25)47(43)61/h1-28,60-63H,29-31H2,(H,58,68)(H,59,69);1-6,8-15,18-21,26-27,50-53H,7,16-17,22-25H2;1-12,17-20,54-57H,13-16,21H2,(H,52,62)(H,53,63);1-12,17-20,52-55H,13-16,21H2.

What are the key properties of bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate?

bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate has a molecular weight of 3990.60 g/mol, XLogP of 39.59, 50 rotatable bonds, 20 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] propanedioate;bis[2-[3-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl] pentanedioate;2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[[2-[2,4-dibromo-5-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethoxycarbonylamino]methyl]carbamate;[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methyl N-[[[4-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]phenyl]methoxycarbonylamino]methyl]carbamate is sourced from PubChem (CID 162177388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).