5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene

C36H11Cl7 — CID 99711976

IUPAC5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene
SMILESClc1c(Cl)c2c(Cl)c(Cl)c(Cl)c3c2c(c1Cl)c1c2c4cccc5cccc(c54)c2c2c4cccc5ccc(Cl)c(c54)c2c31
InChIInChI=1S/C36H11Cl7/c37-17-11-10-13-6-3-9-16-19(13)23(17)24-22(16)20-14-7-1-4-12-5-2-8-15(18(12)14)21(20)25-26(24)29-27-28(25)31(38)35(42)33(40)30(27)34(41)36(43)32(29)39/h1-11H
InChIKeyFTGAEJSIBWVSII-UHFFFAOYSA-N
MW691.66 g/mol
LogP14.95
Rot. Bonds

About 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene

5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene (PubChem CID 99711976) has the molecular formula C36H11Cl7 and a molecular weight of 691.66 g/mol. Its IUPAC name is 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene.

Molecular Properties

Compound Name5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene
PubChem CID99711976
Molecular FormulaC36H11Cl7
Molecular Weight691.66 g/mol
Exact Mass687.87
IUPAC Name5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene
SMILESClc1c(Cl)c2c(Cl)c(Cl)c(Cl)c3c2c(c1Cl)c1c2c4cccc5cccc(c54)c2c2c4cccc5ccc(Cl)c(c54)c2c31
InChIInChI=1S/C36H11Cl7/c37-17-11-10-13-6-3-9-16-19(13)23(17)24-22(16)20-14-7-1-4-12-5-2-8-15(18(12)14)21(20)25-26(24)29-27-28(25)31(38)35(42)33(40)30(27)34(41)36(43)32(29)39/h1-11H
InChIKeyFTGAEJSIBWVSII-UHFFFAOYSA-N
XLogP14.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.66
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene with MolForge

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Related Compounds

1-chloroperylene;perylene
CID 175592023
5,6,7,8-tetrachloropyrene-4-thiol
CID 167515635
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
9,10,12,13,15,16-hexachlorooctacyclo[18.6.2.02,7.08,25.011,24.014,23.017,22.021,26]octacosa-1(26),2,4,6,8(25),9,11,13,15,17(22),18,20,23,27-tetradecaene
CID 175704948
2-(3,4,5,6-tetrachloro-1-pyridin-2-ylperylen-2-yl)pyridine
CID 175035431
pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene
CID 57357666
benzo[e]pyrene
CID 9128
1-chloro-4-fluorobenzo[c]phenanthrene
CID 11108760
dodecacyclo[20.16.0.02,19.03,16.04,13.05,38.06,35.07,12.08,33.024,37.027,36.029,34]octatriaconta-1(38),2(19),3(16),4(13),5,7,9,11,14,17,20,22,24(37),25,27(36),28,30,32,34-nonadecaene
CID 21082989
decacyclo[28.12.0.02,15.03,8.09,14.016,29.017,22.023,28.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosaene;hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene;octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tetradecaene;pentadecacyclo[41.7.1.14,8.118,22.129,33.02,42.03,13.014,41.016,39.017,27.028,38.047,51.012,54.026,53.037,52]tetrapentaconta-1(50),2(42),3(13),4,6,8(54),9,11,14,16(39),17(27),18,20,22(53),23,25,28(38),29,31,33(52),34,36,40,43,45,47(51),48-heptacosaene;undecacyclo[22.14.2.25,16.02,23.04,21.010,15.028,40.029,34.035,39.09,42.020,41]dotetraconta-1(38),2(23),3,5,7,9(42),10,12,14,16(41),17,19,21,24,26,28(40),29,31,33,35(39),36-henicosaene
CID 160735686
nonacyclo[14.14.2.02,15.03,12.04,9.05,30.020,32.021,26.027,31]dotriaconta-1(30),2(15),3(12),4(9),5,7,10,13,16,18,20(32),21,23,25,27(31),28-hexadecaene
CID 21087978

Frequently Asked Questions

What is the IUPAC name of 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene?
The IUPAC name of 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene (CID 99711976) is 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene.
What is the SMILES notation for 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene?
The canonical SMILES for 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene is Clc1c(Cl)c2c(Cl)c(Cl)c(Cl)c3c2c(c1Cl)c1c2c4cccc5cccc(c54)c2c2c4cccc5ccc(Cl)c(c54)c2c31.
What is the InChIKey of 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene?
The InChIKey is FTGAEJSIBWVSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H11Cl7/c37-17-11-10-13-6-3-9-16-19(13)23(17)24-22(16)20-14-7-1-4-12-5-2-8-15(18(12)14)21(20)25-26(24)29-27-28(25)31(38)35(42)33(40)30(27)34(41)36(43)32(29)39/h1-11H.
What are the key properties of 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene?
5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene has a molecular weight of 691.66 g/mol, XLogP of 14.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,9,10,11,16-heptachlorodecacyclo[24.7.1.14,8.115,19.02,25.03,13.014,24.030,34.012,36.023,35]hexatriaconta-1(33),2(25),3(13),4(36),5,7,9,11,14(24),15,17,19(35),20,22,26,28,30(34),31-octadecaene is sourced from PubChem (CID 99711976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).