CID 59036613

C289H110 — CID 59036613

IUPAC—
SMILESC1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C23C1C1C4C5C6C7C8C9C%10C%11C%12C%13CC%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27CC%28CC%29C%30C%31C%32CC%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C%45%46C%47C%48C%49C%50C%51C%52C%53C2C2%54C13C41C53C64C75C86C97C%108C%119C%12%10C%13%14C%15%11C%16%12C%17%13C%18%14C%19%15C%20%16C%21%17C%22%18C%23%19C%24%20C%25%21C%26%22C%27C%23C%24C%28%25C%26C%27C%28C%55C%56C%57C%58C%59C%60C%61C%62C%63C%64C%65C%66C%67C%68C%69C%70C%29C%30%29C%31%30C%32%33C%34%31C%35%32C%36%33C%37%34C%38%35C%39%36C%40%37C%41%38C%42%39C%43%40C%44%41C%45%42C%43%44C%59(C%60%45C%61%59C%62%60C%63%61C%64%62C%65%63C%66%64C%67%65C%68%66C%69%67C%70%29C%30%31C%67%32C%66%33C%65%34C%64%35C%63%36C%62%37C%61%38C%60%39C%59%40C%45%41%43)C%58%29C%57%30C%56%31C%55%32C%28%33C%27%28C%26%27C%25%26C%24%25C%23%22C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%10%11C9%10C89C78C67C56C45C34C12C12C%53%54C%523C%51%11C%50%12C%49%23C%48%24C%47%34C%46%35C%42%36C%29%44C%30%29C%31%30C%32%31C%33%32C%28%33C%27%28C%26%27C%25%22C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%10%13C9%10C89C78C67C56C41C14C32C%112C%123C%235C%24%11C%34%12C%35%13C%29%36C%30%14C%31%23C%32%24C%33%25C%28%26C%27%22C%21%22C%26%21C%25%26C%24%25C%23%24C%13%14C%12%13C%11%12C5%11C35C21C12C64C73C84C96C%10%15C%167C%178C%189C%19%10C%20%22C%21%14C%26%15C%25%16C%13%24C%12%13C%11%12C51C15C32C42C67C83C94C%10%14C%156C%13%16C%121C46C235
InChIInChI=1S/C289H110/c1-2-9-8(1)16-17(9)19-18(16)20-21(19)23-22(20)24-25(23)27-26(24)28-29(27)31-30(28)32-33(31)35-34(32)36-45(35)106-46(36)52-58-75-80-83-78-73-56-50-43-14-6-15-44-51-57-74-79-84-82-77-72-54-48-39-11-4-7-3-10-37-41-12-5-13-42-49-55-60-62-69-71-87-93-98-103-111-104-99-94-90-89-92-97-102(106)169-112(52,106)120(58)142(75)147(80)152(83)153(78)148(73)143(56)123(50)115(43)108(14,15)116(44)124(51)144(57)149(74)154(79)157(84)155(82)150(77)145(72)125(54)118(48)110(39)40(11)95-100-105(7)101-96-91-88-86-85-81-76-70-68-67-66-65-64-63-61-59-53-47-38(10)109(37)113(41)107(12,13)114(42)121(49)126(55)128(60)130(62)135(69)137(71)139(87)141(93)166(98)172(103)175(111)191-146(76,140(70)138(68)136(67)134(66)133(65)132(64)131(63)129(61)127(59)122(53)117(47,109)177(113,114)180(121,122)181(126,127)182(128,129)183(130,131)184(132,135)185(133,137)186(134,139)187(136,141)188(138,166)190(140,172)191)151(81)156(85)158(86)160(88)163(91)167(96)171(101)174(105)170(100)119(95,110)179(118)194(125)200(145)206(150)212(155)213(157)211(154)205(149)199(144)193(124)178(115,116)192(123)198(143)204(148)210(153)207(152)201(147)195(142)189(120,169)196-165(97,169)162(92)159(89)161(90)164(94)168(99)173(104)176(111)224(175)197(151,191)203(156)209(158)215(160)216(163)218(167)221(171)223(174)220(170,179)228(194)234(200)240(206)244(212)246(213)243(211)237(205)231(199)226(192,193)230(198)236(204)242(210)238(207)232(201)227(195,196)233-202(162,196)208(159)214(161)217(164)219(168)222(173)225(176)229(203,224)235(209)241(215)247(216)249(218)251(221)253(223,228)257(234)263(240)268(244)269(246)266(243)261(237)255(230,231)259(236)265(242)260(238)256(232,233)262-239(208,233)245(214)248(217)250(219)252(222)254(225,235)258(241)264(247)271(249)273(251,257)277(263)280(271)278(264)274(252,258)272(250)270(248)267(245,262)282-276(260,262)279(265)275(259,261)281(266)285(269)283(268,277)288(280)284(272,278)286(270,282)289(285,288)287(279,281)282/h7-104H,1-6H2
InChIKeyDFNVVIGFXUUUCN-UHFFFAOYSA-N
MW3582.06 g/mol
LogP26.02
Rot. Bonds

About CID 59036613

CID 59036613 (PubChem CID 59036613) has the molecular formula C289H110 and a molecular weight of 3582.06 g/mol.

Molecular Properties

Compound NameCID 59036613
PubChem CID59036613
Molecular FormulaC289H110
Molecular Weight3582.06 g/mol
Exact Mass3578.86
IUPAC Name—
SMILESC1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C23C1C1C4C5C6C7C8C9C%10C%11C%12C%13CC%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27CC%28CC%29C%30C%31C%32CC%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C%45%46C%47C%48C%49C%50C%51C%52C%53C2C2%54C13C41C53C64C75C86C97C%108C%119C%12%10C%13%14C%15%11C%16%12C%17%13C%18%14C%19%15C%20%16C%21%17C%22%18C%23%19C%24%20C%25%21C%26%22C%27C%23C%24C%28%25C%26C%27C%28C%55C%56C%57C%58C%59C%60C%61C%62C%63C%64C%65C%66C%67C%68C%69C%70C%29C%30%29C%31%30C%32%33C%34%31C%35%32C%36%33C%37%34C%38%35C%39%36C%40%37C%41%38C%42%39C%43%40C%44%41C%45%42C%43%44C%59(C%60%45C%61%59C%62%60C%63%61C%64%62C%65%63C%66%64C%67%65C%68%66C%69%67C%70%29C%30%31C%67%32C%66%33C%65%34C%64%35C%63%36C%62%37C%61%38C%60%39C%59%40C%45%41%43)C%58%29C%57%30C%56%31C%55%32C%28%33C%27%28C%26%27C%25%26C%24%25C%23%22C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%10%11C9%10C89C78C67C56C45C34C12C12C%53%54C%523C%51%11C%50%12C%49%23C%48%24C%47%34C%46%35C%42%36C%29%44C%30%29C%31%30C%32%31C%33%32C%28%33C%27%28C%26%27C%25%22C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%10%13C9%10C89C78C67C56C41C14C32C%112C%123C%235C%24%11C%34%12C%35%13C%29%36C%30%14C%31%23C%32%24C%33%25C%28%26C%27%22C%21%22C%26%21C%25%26C%24%25C%23%24C%13%14C%12%13C%11%12C5%11C35C21C12C64C73C84C96C%10%15C%167C%178C%189C%19%10C%20%22C%21%14C%26%15C%25%16C%13%24C%12%13C%11%12C51C15C32C42C67C83C94C%10%14C%156C%13%16C%121C46C235
InChIInChI=1S/C289H110/c1-2-9-8(1)16-17(9)19-18(16)20-21(19)23-22(20)24-25(23)27-26(24)28-29(27)31-30(28)32-33(31)35-34(32)36-45(35)106-46(36)52-58-75-80-83-78-73-56-50-43-14-6-15-44-51-57-74-79-84-82-77-72-54-48-39-11-4-7-3-10-37-41-12-5-13-42-49-55-60-62-69-71-87-93-98-103-111-104-99-94-90-89-92-97-102(106)169-112(52,106)120(58)142(75)147(80)152(83)153(78)148(73)143(56)123(50)115(43)108(14,15)116(44)124(51)144(57)149(74)154(79)157(84)155(82)150(77)145(72)125(54)118(48)110(39)40(11)95-100-105(7)101-96-91-88-86-85-81-76-70-68-67-66-65-64-63-61-59-53-47-38(10)109(37)113(41)107(12,13)114(42)121(49)126(55)128(60)130(62)135(69)137(71)139(87)141(93)166(98)172(103)175(111)191-146(76,140(70)138(68)136(67)134(66)133(65)132(64)131(63)129(61)127(59)122(53)117(47,109)177(113,114)180(121,122)181(126,127)182(128,129)183(130,131)184(132,135)185(133,137)186(134,139)187(136,141)188(138,166)190(140,172)191)151(81)156(85)158(86)160(88)163(91)167(96)171(101)174(105)170(100)119(95,110)179(118)194(125)200(145)206(150)212(155)213(157)211(154)205(149)199(144)193(124)178(115,116)192(123)198(143)204(148)210(153)207(152)201(147)195(142)189(120,169)196-165(97,169)162(92)159(89)161(90)164(94)168(99)173(104)176(111)224(175)197(151,191)203(156)209(158)215(160)216(163)218(167)221(171)223(174)220(170,179)228(194)234(200)240(206)244(212)246(213)243(211)237(205)231(199)226(192,193)230(198)236(204)242(210)238(207)232(201)227(195,196)233-202(162,196)208(159)214(161)217(164)219(168)222(173)225(176)229(203,224)235(209)241(215)247(216)249(218)251(221)253(223,228)257(234)263(240)268(244)269(246)266(243)261(237)255(230,231)259(236)265(242)260(238)256(232,233)262-239(208,233)245(214)248(217)250(219)252(222)254(225,235)258(241)264(247)271(249)273(251,257)277(263)280(271)278(264)274(252,258)272(250)270(248)267(245,262)282-276(260,262)279(265)275(259,261)281(266)285(269)283(268,277)288(280)284(272,278)286(270,282)289(285,288)287(279,281)282/h7-104H,1-6H2
InChIKeyDFNVVIGFXUUUCN-UHFFFAOYSA-N
XLogP26.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms289
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003582.06
LogP ≤ 526.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174243814
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CID 162058034
CID 59036615
CID 59036615
CID 140625573
CID 140625573
CID 161214627
CID 161214627
CID 59721921
CID 59721921
hentetracontacyclo[22.3.3.24,29.25,6.27,8.29,10.211,14.217,18.219,20.221,22.115,16.123,30.03,28.012,15.026,30.027,29.336,38.132,48.135,47.139,41.013,42.028,33.031,32.031,34.033,48.034,49.035,36.037,38.037,53.039,40.040,41.042,43.043,51.044,45.044,52.045,53.046,47.046,54.049,50.050,54.051,52]tetrapentacontane
CID 174150957
CID 20652954
CID 20652954
octatetracontacyclo[21.5.5.44,32.25,6.27,8.211,12.213,14.218,19.220,21.115,17.122,33.03,29.025,33.026,32.027,31.028,30.536,40.346,50.244,45.135,39.137,51.09,47.029,38.030,37.031,36.034,35.034,39.038,51.040,41.041,59.042,43.042,57.043,44.045,46.047,48.048,55.049,50.049,54.052,53.052,62.053,61.054,60.055,56.056,60.057,59.058,61.058,63.062,63]trihexacontane
CID 140616722
CID 59104663
CID 59104663
tetrapentacontacyclo[23.5.5.44,34.26,7.28,9.212,13.214,15.216,19.220,21.222,23.124,35.03,31.027,35.028,34.029,33.030,32.538,42.443,44.349,53.247,48.15,54.137,41.010,50.018,46.031,40.032,39.033,38.036,37.036,41.039,68.040,55.042,43.044,45.045,60.046,47.048,49.050,51.051,58.052,53.052,57.054,67.055,68.056,63.056,67.057,62.058,59.059,62.060,61.061,64.063,66.064,65.065,70.066,69.069,70]heptacontane
CID 20651980
dotetracontacyclo[19.5.5.44,30.26,7.210,11.212,13.214,17.218,19.120,31.03,27.023,31.024,30.025,29.026,28.534,38.239,42.15,46.133,37.143,45.08,44.016,40.027,36.028,35.029,34.032,33.032,37.035,54.036,47.038,39.040,41.041,50.042,43.044,45.046,53.047,54.048,49.048,53.049,52.050,51.051,56.052,55.055,56]hexapentacontane
CID 59751642

Frequently Asked Questions

What is the IUPAC name of CID 59036613?
The IUPAC name of CID 59036613 (CID 59036613) is not available.
What is the SMILES notation for CID 59036613?
The canonical SMILES for CID 59036613 is C1CC2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C2C1C1C2C23C1C1C4C5C6C7C8C9C%10C%11C%12C%13CC%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27CC%28CC%29C%30C%31C%32CC%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C%45%46C%47C%48C%49C%50C%51C%52C%53C2C2%54C13C41C53C64C75C86C97C%108C%119C%12%10C%13%14C%15%11C%16%12C%17%13C%18%14C%19%15C%20%16C%21%17C%22%18C%23%19C%24%20C%25%21C%26%22C%27C%23C%24C%28%25C%26C%27C%28C%55C%56C%57C%58C%59C%60C%61C%62C%63C%64C%65C%66C%67C%68C%69C%70C%29C%30%29C%31%30C%32%33C%34%31C%35%32C%36%33C%37%34C%38%35C%39%36C%40%37C%41%38C%42%39C%43%40C%44%41C%45%42C%43%44C%59(C%60%45C%61%59C%62%60C%63%61C%64%62C%65%63C%66%64C%67%65C%68%66C%69%67C%70%29C%30%31C%67%32C%66%33C%65%34C%64%35C%63%36C%62%37C%61%38C%60%39C%59%40C%45%41%43)C%58%29C%57%30C%56%31C%55%32C%28%33C%27%28C%26%27C%25%26C%24%25C%23%22C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%10%11C9%10C89C78C67C56C45C34C12C12C%53%54C%523C%51%11C%50%12C%49%23C%48%24C%47%34C%46%35C%42%36C%29%44C%30%29C%31%30C%32%31C%33%32C%28%33C%27%28C%26%27C%25%22C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%10%13C9%10C89C78C67C56C41C14C32C%112C%123C%235C%24%11C%34%12C%35%13C%29%36C%30%14C%31%23C%32%24C%33%25C%28%26C%27%22C%21%22C%26%21C%25%26C%24%25C%23%24C%13%14C%12%13C%11%12C5%11C35C21C12C64C73C84C96C%10%15C%167C%178C%189C%19%10C%20%22C%21%14C%26%15C%25%16C%13%24C%12%13C%11%12C51C15C32C42C67C83C94C%10%14C%156C%13%16C%121C46C235.
What is the InChIKey of CID 59036613?
The InChIKey is DFNVVIGFXUUUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C289H110/c1-2-9-8(1)16-17(9)19-18(16)20-21(19)23-22(20)24-25(23)27-26(24)28-29(27)31-30(28)32-33(31)35-34(32)36-45(35)106-46(36)52-58-75-80-83-78-73-56-50-43-14-6-15-44-51-57-74-79-84-82-77-72-54-48-39-11-4-7-3-10-37-41-12-5-13-42-49-55-60-62-69-71-87-93-98-103-111-104-99-94-90-89-92-97-102(106)169-112(52,106)120(58)142(75)147(80)152(83)153(78)148(73)143(56)123(50)115(43)108(14,15)116(44)124(51)144(57)149(74)154(79)157(84)155(82)150(77)145(72)125(54)118(48)110(39)40(11)95-100-105(7)101-96-91-88-86-85-81-76-70-68-67-66-65-64-63-61-59-53-47-38(10)109(37)113(41)107(12,13)114(42)121(49)126(55)128(60)130(62)135(69)137(71)139(87)141(93)166(98)172(103)175(111)191-146(76,140(70)138(68)136(67)134(66)133(65)132(64)131(63)129(61)127(59)122(53)117(47,109)177(113,114)180(121,122)181(126,127)182(128,129)183(130,131)184(132,135)185(133,137)186(134,139)187(136,141)188(138,166)190(140,172)191)151(81)156(85)158(86)160(88)163(91)167(96)171(101)174(105)170(100)119(95,110)179(118)194(125)200(145)206(150)212(155)213(157)211(154)205(149)199(144)193(124)178(115,116)192(123)198(143)204(148)210(153)207(152)201(147)195(142)189(120,169)196-165(97,169)162(92)159(89)161(90)164(94)168(99)173(104)176(111)224(175)197(151,191)203(156)209(158)215(160)216(163)218(167)221(171)223(174)220(170,179)228(194)234(200)240(206)244(212)246(213)243(211)237(205)231(199)226(192,193)230(198)236(204)242(210)238(207)232(201)227(195,196)233-202(162,196)208(159)214(161)217(164)219(168)222(173)225(176)229(203,224)235(209)241(215)247(216)249(218)251(221)253(223,228)257(234)263(240)268(244)269(246)266(243)261(237)255(230,231)259(236)265(242)260(238)256(232,233)262-239(208,233)245(214)248(217)250(219)252(222)254(225,235)258(241)264(247)271(249)273(251,257)277(263)280(271)278(264)274(252,258)272(250)270(248)267(245,262)282-276(260,262)279(265)275(259,261)281(266)285(269)283(268,277)288(280)284(272,278)286(270,282)289(285,288)287(279,281)282/h7-104H,1-6H2.
What are the key properties of CID 59036613?
CID 59036613 has a molecular weight of 3582.06 g/mol, XLogP of 26.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59036613 is sourced from PubChem (CID 59036613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).