tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole

C145H156N18O16 — CID 157419860

IUPACtris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole
SMILESCCCCCCCCCC(n1c2ccccc2c2cc(CC)nc(C)c21)n1c2ccccc2c2cc(C(=O)OCC)nc(C)c21.CCCCCCCCCCCC(n1c2ccc([N+](=O)[O-])cc2c2ccnc(C)c21)n1c2ccc([N+](=O)[O-])cc2c2ccnc(C)c21.CCOC(=O)c1cc2c3ccccc3n(CCCCCCn3c4ccccc4c4cc(CC)nc(C)c43)c2c(C)n1.CCOC(=O)c1cc2c3ccccc3n(CCCn3c4ccccc4c4cc(CC)nc(C)c43)c2c(C)n1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C39H46N4O2.C36H40N6O4.C35H38N4O2.C32H32N4O2.3CO2/c1-6-9-10-11-12-13-14-23-36(42-34-21-17-15-19-29(34)31-24-28(7-2)40-26(4)37(31)42)43-35-22-18-16-20-30(35)32-25-33(39(44)45-8-3)41-27(5)38(32)43;1-4-5-6-7-8-9-10-11-12-13-34(39-32-16-14-26(41(43)44)22-30(32)28-18-20-37-24(2)35(28)39)40-33-17-15-27(42(45)46)23-31(33)29-19-21-38-25(3)36(29)40;1-5-25-21-28-26-15-9-11-17-31(26)38(33(28)23(3)36-25)19-13-7-8-14-20-39-32-18-12-10-16-27(32)29-22-30(35(40)41-6-2)37-24(4)34(29)39;1-5-22-18-25-23-12-7-9-14-28(23)35(30(25)20(3)33-22)16-11-17-36-29-15-10-8-13-24(29)26-19-27(32(37)38-6-2)34-21(4)31(26)36;3*2-1-3/h15-22,24-25,36H,6-14,23H2,1-5H3;14-23,34H,4-13H2,1-3H3;9-12,15-18,21-22H,5-8,13-14,19-20H2,1-4H3;7-10,12-15,18-19H,5-6,11,16-17H2,1-4H3;;;
InChIKeyBPGYSAQSFMTNPW-UHFFFAOYSA-N
MW2406.95 g/mol
LogP34.03
Rot. Bonds44

About tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole

tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole (PubChem CID 157419860) has the molecular formula C145H156N18O16 and a molecular weight of 2406.95 g/mol. Its IUPAC name is tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole.

Molecular Properties

Compound Nametris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole
PubChem CID157419860
Molecular FormulaC145H156N18O16
Molecular Weight2406.95 g/mol
Exact Mass2405.19
IUPAC Nametris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole
SMILESCCCCCCCCCC(n1c2ccccc2c2cc(CC)nc(C)c21)n1c2ccccc2c2cc(C(=O)OCC)nc(C)c21.CCCCCCCCCCCC(n1c2ccc([N+](=O)[O-])cc2c2ccnc(C)c21)n1c2ccc([N+](=O)[O-])cc2c2ccnc(C)c21.CCOC(=O)c1cc2c3ccccc3n(CCCCCCn3c4ccccc4c4cc(CC)nc(C)c43)c2c(C)n1.CCOC(=O)c1cc2c3ccccc3n(CCCn3c4ccccc4c4cc(CC)nc(C)c43)c2c(C)n1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C39H46N4O2.C36H40N6O4.C35H38N4O2.C32H32N4O2.3CO2/c1-6-9-10-11-12-13-14-23-36(42-34-21-17-15-19-29(34)31-24-28(7-2)40-26(4)37(31)42)43-35-22-18-16-20-30(35)32-25-33(39(44)45-8-3)41-27(5)38(32)43;1-4-5-6-7-8-9-10-11-12-13-34(39-32-16-14-26(41(43)44)22-30(32)28-18-20-37-24(2)35(28)39)40-33-17-15-27(42(45)46)23-31(33)29-19-21-38-25(3)36(29)40;1-5-25-21-28-26-15-9-11-17-31(26)38(33(28)23(3)36-25)19-13-7-8-14-20-39-32-18-12-10-16-27(32)29-22-30(35(40)41-6-2)37-24(4)34(29)39;1-5-22-18-25-23-12-7-9-14-28(23)35(30(25)20(3)33-22)16-11-17-36-29-15-10-8-13-24(29)26-19-27(32(37)38-6-2)34-21(4)31(26)36;3*2-1-3/h15-22,24-25,36H,6-14,23H2,1-5H3;14-23,34H,4-13H2,1-3H3;9-12,15-18,21-22H,5-8,13-14,19-20H2,1-4H3;7-10,12-15,18-19H,5-6,11,16-17H2,1-4H3;;;
InChIKeyBPGYSAQSFMTNPW-UHFFFAOYSA-N
XLogP34.03
TPSA410.16 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002406.95
LogP ≤ 534.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 9-[5-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)pentyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539200
Ethyl 9-[6-(3-ethoxycarbonyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 71539242
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
CID 118881966
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
CID 118881967
Ethyl 9-[1-(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)dodecyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 118881968
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
CID 118881969
Ethyl 9-[(3-ethyl-1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)methyl]-1-pyridin-3-ylpyrido[3,4-b]indole-3-carboxylate
CID 118881984
2-Morpholin-4-ylethyl 9-[(2,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 142650641
ethyl 5-amino-1H-indole-2-carboxylate;ethyl 5-(2-methoxyethylamino)-1H-indole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;[5-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;5-(2-methoxyethylamino)-1H-indole-2-carboxylic acid;[5-(3-methoxypropyl)-1H-indol-2-yl]-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone;2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine
CID 157153728
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
Methyl 1-[(5-methoxycarbonylindol-1-yl)methyl]quinolin-1-ium-3-carboxylate;methyl 1-[(3-methoxycarbonylpyridin-1-ium-1-yl)methyl]indole-2-carboxylate;methyl 1-[(5-nitroindol-1-yl)methyl]pyridin-1-ium-3-carboxylate;methyl 1-(pyridin-1-ium-1-ylmethyl)indole-2-carboxylate;bis(methyl 1-(pyridin-1-ium-1-ylmethyl)indole-6-carboxylate)
CID 157381535
(9-Benzylpyrido[3,4-b]indol-3-yl)methanol;(9-benzylpyrido[3,4-b]indol-3-yl)methyl acetate;ethyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 157784746

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole?
The IUPAC name of tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole (CID 157419860) is tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole.
What is the SMILES notation for tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole?
The canonical SMILES for tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole is CCCCCCCCCC(n1c2ccccc2c2cc(CC)nc(C)c21)n1c2ccccc2c2cc(C(=O)OCC)nc(C)c21.CCCCCCCCCCCC(n1c2ccc([N+](=O)[O-])cc2c2ccnc(C)c21)n1c2ccc([N+](=O)[O-])cc2c2ccnc(C)c21.CCOC(=O)c1cc2c3ccccc3n(CCCCCCn3c4ccccc4c4cc(CC)nc(C)c43)c2c(C)n1.CCOC(=O)c1cc2c3ccccc3n(CCCn3c4ccccc4c4cc(CC)nc(C)c43)c2c(C)n1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole?
The InChIKey is BPGYSAQSFMTNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46N4O2.C36H40N6O4.C35H38N4O2.C32H32N4O2.3CO2/c1-6-9-10-11-12-13-14-23-36(42-34-21-17-15-19-29(34)31-24-28(7-2)40-26(4)37(31)42)43-35-22-18-16-20-30(35)32-25-33(39(44)45-8-3)41-27(5)38(32)43;1-4-5-6-7-8-9-10-11-12-13-34(39-32-16-14-26(41(43)44)22-30(32)28-18-20-37-24(2)35(28)39)40-33-17-15-27(42(45)46)23-31(33)29-19-21-38-25(3)36(29)40;1-5-25-21-28-26-15-9-11-17-31(26)38(33(28)23(3)36-25)19-13-7-8-14-20-39-32-18-12-10-16-27(32)29-22-30(35(40)41-6-2)37-24(4)34(29)39;1-5-22-18-25-23-12-7-9-14-28(23)35(30(25)20(3)33-22)16-11-17-36-29-15-10-8-13-24(29)26-19-27(32(37)38-6-2)34-21(4)31(26)36;3*2-1-3/h15-22,24-25,36H,6-14,23H2,1-5H3;14-23,34H,4-13H2,1-3H3;9-12,15-18,21-22H,5-8,13-14,19-20H2,1-4H3;7-10,12-15,18-19H,5-6,11,16-17H2,1-4H3;;;.
What are the key properties of tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole?
tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole has a molecular weight of 2406.95 g/mol, XLogP of 34.03, 44 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);ethyl 9-[1-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)decyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[6-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;ethyl 9-[3-(3-ethyl-1-methylpyrido[3,4-b]indol-9-yl)propyl]-1-methylpyrido[3,4-b]indole-3-carboxylate;1-methyl-9-[1-(1-methyl-6-nitropyrido[3,4-b]indol-9-yl)dodecyl]-6-nitropyrido[3,4-b]indole is sourced from PubChem (CID 157419860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).