chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene

C60H63Cl9O15 — CID 139092735

IUPACchloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene
SMILESCOc1cc2c3cc1OCCOc1c(OC)cc4c(c1OC)Cc1cc(OC)c5c(OC)c1Cc1cc(OC)c(c(OC)c1C4)OCCOc1cc(c(cc1OC)Cc1cc(c(OC)cc1C3)OCCO5)C2.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/C57H60O15.3CHCl3/c1-58-43-22-31-16-35-26-47-45(60-3)24-33(35)18-36-27-48-44(59-2)23-32(36)17-34(31)25-46(43)67-10-13-70-55-49(61-4)28-37-20-41-39(30-51(63-6)56(53(41)65-8)71-14-11-68-47)21-42-38(19-40(37)52(55)64-7)29-50(62-5)57(54(42)66-9)72-15-12-69-48;3*2-1(3)4/h22-30H,10-21H2,1-9H3;3*1H
InChIKeyAJTXJRFICDYXBF-UHFFFAOYSA-N
MW1343.23 g/mol
LogP14.90
Rot. Bonds9

About chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene

chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene (PubChem CID 139092735) has the molecular formula C60H63Cl9O15 and a molecular weight of 1343.23 g/mol. Its IUPAC name is chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene.

Molecular Properties

Compound Namechloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene
PubChem CID139092735
Molecular FormulaC60H63Cl9O15
Molecular Weight1343.23 g/mol
Exact Mass1338.14
IUPAC Namechloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene
SMILESCOc1cc2c3cc1OCCOc1c(OC)cc4c(c1OC)Cc1cc(OC)c5c(OC)c1Cc1cc(OC)c(c(OC)c1C4)OCCOc1cc(c(cc1OC)Cc1cc(c(OC)cc1C3)OCCO5)C2.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
InChIInChI=1S/C57H60O15.3CHCl3/c1-58-43-22-31-16-35-26-47-45(60-3)24-33(35)18-36-27-48-44(59-2)23-32(36)17-34(31)25-46(43)67-10-13-70-55-49(61-4)28-37-20-41-39(30-51(63-6)56(53(41)65-8)71-14-11-68-47)21-42-38(19-40(37)52(55)64-7)29-50(62-5)57(54(42)66-9)72-15-12-69-48;3*2-1(3)4/h22-30H,10-21H2,1-9H3;3*1H
InChIKeyAJTXJRFICDYXBF-UHFFFAOYSA-N
XLogP14.90
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.23
LogP ≤ 514.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene with MolForge

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Related Compounds

9,16,30,37-tetramethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene-2,23-diol
CID 102021987
1,2,3,6,7,8-hexamethoxy-9,10-dihydroanthracene
CID 126606780
4,5,12,13,19,20-hexamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 4140999
10,10,11,11,31,31,32,32,44,44,45,45-dodecadeuterio-7,14,21,28,35,42-hexakis(trideuteriomethoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.38,37.316,29.113,17.134,38.03,40.019,24.05,49.026,52]tetrapentaconta-1(42),2,5,7,13,15,17(54),19,21,23,26,28,34,36,38(47),40,49,51-octadecaene
CID 101016148
bis(8-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)diazene;chloroform
CID 139125564
5-methoxy-N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 9273653
(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 131600341
6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
CID 130420635
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860
(19S,27S,51S)-2,9,37-trimethoxy-19,27,51-trimethyl-11,14,32,35,43,46-hexaoxa-20,23,26,52-tetrazanonacyclo[21.19.12.37,36.215,18.228,31.247,50.16,10.04,41.039,58]tetrahexaconta-1,3,6(64),7,9,15(63),16,18(62),28,30,36,38,41,47(56),48,50(55),57,60-octadecaene-21,25,53-trione
CID 138964590
chloroform;(2S,26S,51S,54S)-6,24,30,48-tetramethoxy-2,26,51,54-tetramethyl-9,12,15,18,21,33,36,39,42,45-decaoxaheptacyclo[27.19.3.35,25.03,8.027,32.046,50.022,53]tetrapentaconta-1(48),3,5,7,22,24,27,29,31,46,49,52-dodecaene
CID 139200232
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 84704627

Frequently Asked Questions

What is the IUPAC name of chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene?
The IUPAC name of chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene (CID 139092735) is chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene.
What is the SMILES notation for chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene?
The canonical SMILES for chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene is COc1cc2c3cc1OCCOc1c(OC)cc4c(c1OC)Cc1cc(OC)c5c(OC)c1Cc1cc(OC)c(c(OC)c1C4)OCCOc1cc(c(cc1OC)Cc1cc(c(OC)cc1C3)OCCO5)C2.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.
What is the InChIKey of chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene?
The InChIKey is AJTXJRFICDYXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H60O15.3CHCl3/c1-58-43-22-31-16-35-26-47-45(60-3)24-33(35)18-36-27-48-44(59-2)23-32(36)17-34(31)25-46(43)67-10-13-70-55-49(61-4)28-37-20-41-39(30-51(63-6)56(53(41)65-8)71-14-11-68-47)21-42-38(19-40(37)52(55)64-7)29-50(62-5)57(54(42)66-9)72-15-12-69-48;3*2-1(3)4/h22-30H,10-21H2,1-9H3;3*1H.
What are the key properties of chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene?
chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene has a molecular weight of 1343.23 g/mol, XLogP of 14.90, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;2,9,16,23,25,30,37,50,53-nonamethoxy-11,14,32,35,43,46-hexaoxadecacyclo[22.18.4.37,36.318,31.16,10.115,19.04,41.021,26.028,51.039,48]tetrapentaconta-1,3,6(54),7,9,15,17,19(53),21,23,25,28,30,36,38,41,47,50-octadecaene is sourced from PubChem (CID 139092735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).