tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole

C172H156N24O12 — CID 157344956

About tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole

tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole (PubChem CID 157344956) has the molecular formula C172H156N24O12 and a molecular weight of 2751.30 g/mol. Its IUPAC name is tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole
• PubChem CID: 157344956
• Molecular Formula: C172H156N24O12
• Molecular Weight: 2751.30 g/mol
• Exact Mass: 2749.23
• IUPAC Name: tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole
• SMILES: CCCCCCCCCCCC(n1c2ccccc2c2ccnc(-c3cccnc3)c21)n1c2ccccc2c2ccnc(-c3cccnc3)c21.CCOC(=O)c1cc2c3ccccc3n(CCCCCCn3c4ccccc4c4cc(CC)nc(-c5cccnc5)c43)c2c(-c2cccnc2)n1.CCOC(=O)c1cc2c3ccccc3n(CCCCCn3c4ccccc4c4cc(CC)nc(-c5cccnc5)c43)c2c(-c2cccnc2)n1.CCOC(=O)c1cc2c3ccccc3n(CCCn3c4ccccc4c4cc(CC)nc(-c5cccnc5)c43)c2c(-c2cccnc2)n1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/C44H44N6.C43H40N6O2.C42H38N6O2.C40H34N6O2.3CO2/c1-2-3-4-5-6-7-8-9-10-23-40(49-38-21-13-11-19-34(38)36-24-28-47-41(43(36)49)32-17-15-26-45-30-32)50-39-22-14-12-20-35(39)37-25-29-48-42(44(37)50)33-18-16-27-46-31-33;1-3-31-25-34-32-17-7-9-19-37(32)48(41(34)39(46-31)29-15-13-21-44-27-29)23-11-5-6-12-24-49-38-20-10-8-18-33(38)35-26-36(43(50)51-4-2)47-40(42(35)49)30-16-14-22-45-28-30;1-3-30-24-33-31-16-6-8-18-36(31)47(40(33)38(45-30)28-14-12-20-43-26-28)22-10-5-11-23-48-37-19-9-7-17-32(37)34-25-35(42(49)50-4-2)46-39(41(34)48)29-15-13-21-44-27-29;1-3-28-22-31-29-14-5-7-16-34(29)45(38(31)36(43-28)26-12-9-18-41-24-26)20-11-21-46-35-17-8-6-15-30(35)32-23-33(40(47)48-4-2)44-37(39(32)46)27-13-10-19-42-25-27;3*2-1-3/h11-22,24-31,40H,2-10,23H2,1H3;7-10,13-22,25-28H,3-6,11-12,23-24H2,1-2H3;6-9,12-21,24-27H,3-5,10-11,22-23H2,1-2H3;5-10,12-19,22-25H,3-4,11,20-21H2,1-2H3
• InChIKey: BGVQMCMPWFTIEP-UHFFFAOYSA-N
• XLogP: 37.92
• TPSA: 427.00 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 46
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2751.30
LogP ≤ 5	37.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole?

The IUPAC name of tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole (CID 157344956) is tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole.

What is the SMILES notation for tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole?

The canonical SMILES for tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole is CCCCCCCCCCCC(n1c2ccccc2c2ccnc(-c3cccnc3)c21)n1c2ccccc2c2ccnc(-c3cccnc3)c21.CCOC(=O)c1cc2c3ccccc3n(CCCCCCn3c4ccccc4c4cc(CC)nc(-c5cccnc5)c43)c2c(-c2cccnc2)n1.CCOC(=O)c1cc2c3ccccc3n(CCCCCn3c4ccccc4c4cc(CC)nc(-c5cccnc5)c43)c2c(-c2cccnc2)n1.CCOC(=O)c1cc2c3ccccc3n(CCCn3c4ccccc4c4cc(CC)nc(-c5cccnc5)c43)c2c(-c2cccnc2)n1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole?

The InChIKey is BGVQMCMPWFTIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N6.C43H40N6O2.C42H38N6O2.C40H34N6O2.3CO2/c1-2-3-4-5-6-7-8-9-10-23-40(49-38-21-13-11-19-34(38)36-24-28-47-41(43(36)49)32-17-15-26-45-30-32)50-39-22-14-12-20-35(39)37-25-29-48-42(44(37)50)33-18-16-27-46-31-33;1-3-31-25-34-32-17-7-9-19-37(32)48(41(34)39(46-31)29-15-13-21-44-27-29)23-11-5-6-12-24-49-38-20-10-8-18-33(38)35-26-36(43(50)51-4-2)47-40(42(35)49)30-16-14-22-45-28-30;1-3-30-24-33-31-16-6-8-18-36(31)47(40(33)38(45-30)28-14-12-20-43-26-28)22-10-5-11-23-48-37-19-9-7-17-32(37)34-25-35(42(49)50-4-2)46-39(41(34)48)29-15-13-21-44-27-29;1-3-28-22-31-29-14-5-7-16-34(29)45(38(31)36(43-28)26-12-9-18-41-24-26)20-11-21-46-35-17-8-6-15-30(35)32-23-33(40(47)48-4-2)44-37(39(32)46)27-13-10-19-42-25-27;3*2-1-3/h11-22,24-31,40H,2-10,23H2,1H3;7-10,13-22,25-28H,3-6,11-12,23-24H2,1-2H3;6-9,12-21,24-27H,3-5,10-11,22-23H2,1-2H3;5-10,12-19,22-25H,3-4,11,20-21H2,1-2H3;;;.

What are the key properties of tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole?

tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole has a molecular weight of 2751.30 g/mol, XLogP of 37.92, 46 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);ethyl 9-[6-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[5-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)propyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate;1-pyridin-3-yl-9-[1-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]pyrido[3,4-b]indole is sourced from PubChem (CID 157344956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).