bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol

C160H177FN36O17 — CID 158133759

About bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol

bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol (PubChem CID 158133759) has the molecular formula C160H177FN36O17 and a molecular weight of 2895.41 g/mol. Its IUPAC name is bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol.

Molecular Properties

• Compound Name: bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol
• PubChem CID: 158133759
• Molecular Formula: C160H177FN36O17
• Molecular Weight: 2895.41 g/mol
• Exact Mass: 2893.41
• IUPAC Name: bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol
• SMILES: COc1cccc2c1c1ccccc1n2CCNCC1OC(n2cnc3c(C)ncnc32)C(O)C1O.Cc1ccc2c3ccc(C(C)(C)C)cc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ccc2c3ccc(C(C)(C)C)cc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3c(C)cccc32)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3cccc(F)c32)C(O)C1O.Cc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2ccccc21
• InChI: InChI=1S/2C30H36N6O3.C26H28N6O4.C26H28N6O3.C25H25FN6O3.C23H24N6O/c2*1-17-6-8-20-21-9-7-19(30(3,4)5)13-23(21)35(22(20)12-17)11-10-31-14-24-26(37)27(38)29(39-24)36-16-34-25-18(2)32-15-33-28(25)36;1-15-22-25(29-13-28-15)32(14-30-22)26-24(34)23(33)20(36-26)12-27-10-11-31-17-7-4-3-6-16(17)21-18(31)8-5-9-19(21)35-2;1-15-6-5-9-19-21(15)17-7-3-4-8-18(17)31(19)11-10-27-12-20-23(33)24(34)26(35-20)32-14-30-22-16(2)28-13-29-25(22)32;1-14-20-24(29-12-28-14)32(13-30-20)25-23(34)22(33)19(35-25)11-27-9-10-31-18-8-3-2-5-15(18)16-6-4-7-17(26)21(16)31;1-17-22-23(26-14-25-17)28(15-27-22)16-30-13-11-24-10-12-29-20-8-4-2-6-18(20)19-7-3-5-9-21(19)29/h2*6-9,12-13,15-16,24,26-27,29,31,37-38H,10-11,14H2,1-5H3;3-9,13-14,20,23-24,26-27,33-34H,10-12H2,1-2H3;3-9,13-14,20,23-24,26-27,33-34H,10-12H2,1-2H3;2-8,12-13,19,22-23,25,27,33-34H,9-11H2,1H3;2-9,14-15,24H,10-13,16H2,1H3
• InChIKey: FTCBIIJWHBTCCZ-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 630.27 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 53
• Rotatable Bonds: 39
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2895.41
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol?

The IUPAC name of bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol (CID 158133759) is bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol.

What is the SMILES notation for bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol?

The canonical SMILES for bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol is COc1cccc2c1c1ccccc1n2CCNCC1OC(n2cnc3c(C)ncnc32)C(O)C1O.Cc1ccc2c3ccc(C(C)(C)C)cc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ccc2c3ccc(C(C)(C)C)cc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3c(C)cccc32)C(O)C1O.Cc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3cccc(F)c32)C(O)C1O.Cc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2ccccc21.

What is the InChIKey of bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol?

The InChIKey is FTCBIIJWHBTCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H36N6O3.C26H28N6O4.C26H28N6O3.C25H25FN6O3.C23H24N6O/c2*1-17-6-8-20-21-9-7-19(30(3,4)5)13-23(21)35(22(20)12-17)11-10-31-14-24-26(37)27(38)29(39-24)36-16-34-25-18(2)32-15-33-28(25)36;1-15-22-25(29-13-28-15)32(14-30-22)26-24(34)23(33)20(36-26)12-27-10-11-31-17-7-4-3-6-16(17)21-18(31)8-5-9-19(21)35-2;1-15-6-5-9-19-21(15)17-7-3-4-8-18(17)31(19)11-10-27-12-20-23(33)24(34)26(35-20)32-14-30-22-16(2)28-13-29-25(22)32;1-14-20-24(29-12-28-14)32(13-30-20)25-23(34)22(33)19(35-25)11-27-9-10-31-18-8-3-2-5-15(18)16-6-4-7-17(26)21(16)31;1-17-22-23(26-14-25-17)28(15-27-22)16-30-13-11-24-10-12-29-20-8-4-2-6-18(20)19-7-3-5-9-21(19)29/h2*6-9,12-13,15-16,24,26-27,29,31,37-38H,10-11,14H2,1-5H3;3-9,13-14,20,23-24,26-27,33-34H,10-12H2,1-2H3;3-9,13-14,20,23-24,26-27,33-34H,10-12H2,1-2H3;2-8,12-13,19,22-23,25,27,33-34H,9-11H2,1H3;2-9,14-15,24H,10-13,16H2,1H3.

What are the key properties of bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol?

bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol has a molecular weight of 2895.41 g/mol, XLogP of 17.93, 39 rotatable bonds, 16 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[[2-(2-tert-butyl-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol);2-carbazol-9-yl-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-[[2-(1-fluorocarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methoxycarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 158133759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).