CID 162058034

C274H144 — CID 162058034

IUPAC—
SMILESC.C.C.C.C.C.C.C.C.C.C1C2C3C4C5CC6C7C8C9C%10C%11C%12C%13C%14C%15CC%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C%37C%38C%39C%40C1C21C2C%41C%42C3%43C3C%44C%45C4%46C4C%47C%48C5%49C5C%50C6C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%16C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%27%24C%28%25C%29%26C%30%27C%32%31C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%401C21C%412C%42%35C%43%36C3%37C%443C%45%38C%46%39C4%40C%474C%48%41C%49%42C5%43C%506C75C86C97C%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%28%27C%29%23C%30%24C%31%25C%32%26C%33%27C%341C21C%352C%36%28C%37%29C3%30C%383C%39%31C%40%32C4%33C%414C%42%34C%435C65C76C87C98C%10%11C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%23%22C%24%19C%25%20C%26%21C%271C21C%282C%29%22C%30%23C3%24C%313C%32%25C%33%26C4%27C%345C64C75C89C%106C%117C%128C%139C%14%10C%15%11C%16%12C%17%13C%19%18C%20%14C%211C21C%222C%23%15C%24%16C3%17C%253C%26%18C%274C56C7%18C83C9%17C%10%16C%11%15C%122C%14%131.C1C2C3C4CC5C6C7C8C9C%10C%11C%12CC%13C%14C%15CC%16C%17C%18C%19C%20C%21C%22C1C21C32C45C63C74C85C96C%107C%118C%13%12C%149C%15%16C%17%10C%18%11C%19%12C%20%13C%21%14C%221C23C%144C%135C%126C%117C9%108.C1CC2C1C1C3CCC3C21
InChIInChI=1S/C204H60.C50H30.C10H14.10CH4/c1-5-13-22-28-34-36-30-24-18-9-3-11-20-27-33-38-40-43-45-44-42-41-39-32-26-21-12-4-10-19-25-31-37-35-29-23-17-8-2-7-16-15-6(1)58-50-46-14(5)63(13)69(22)76(28)82(34)84(36)78(30)72(24)65(18)61(9,11)67(20)75(27)81(33)86(38)88(40)91(43)93(45)92(44)90(42)89(41)87(39)80(32)74(26)68(21)62(10,12)66(19)73(25)79(31)85(37)83(35)77(29)71(23)64(17)57(7,8)51-47-53-60(16)56-49-55-59(15)54-48-52(58)99-95(48)101(54)106(59)103(55)96(49)102(56)105(60)100(53)94(47)97(51,64)110(71)116(77)123(83)125(85)119(79)112(73)108(66,68)113(74)120(80)127(87)129(89)130(90)132(92)133(93)131(91)128(88)126(86)121(81)114(75)107(65,67)111(72)118(78)124(84)122(82)115(76)109(69)70(46,63)98(50)104(58,99)142-136(98,109)148(115)154(122)156(124)150(118)146(111,114)152(121)157(126)159(128)162(131)164(133)163(132)161(130)160(129)158(127)151(120)145(112,113)149(119)155(125)153(123)147(116)117(94,110)137(100)143(105)139(102)135(96)141(103)144(106)140(101)134(95)138(99,142)168-165(134)170(140)174(144)171(141)166(135)169(139)173(143)167(137,147)177(153)179(155)175(149,151)182(158)184(160)185(161)187(163)188(164)186(162)183(159)181(157)176(150,152)180(156)178(154,172(142,148)168)191(168)189(165)193(170)196(174)194(171)190(166)192(169)195(173,177)198(179,182)201(184,192)200(185,190)203(187,194)204(188,196)202(186,193)199(183,189)197(180,181)191;1-5-13-6-2-10-16-21-25-26-22-18-12-4-8-14-7-3-11-17-20-24-23-19-15-9(1)27(5)31(13)28(6,10)34(16)38(21)43(25)44(26)40(22)36(18)30(8,12)32(14)29(7,11)35(17)39(20)42(24)41(23)37(19)33(15,27)45(31,34)47(37,38)49(41,43)50(42,44)48(39,40)46(32,35)36;1-2-6-5(1)9-7-3-4-8(7)10(6)9;;;;;;;;;;/h5-56H,1-4H2;5-26H,1-4H2;5-10H,1-4H2;10*1H4
InChIKeyYZLGTIPGQSUJTJ-UHFFFAOYSA-N
MW3436.17 g/mol
LogP31.45
Rot. Bonds

About CID 162058034

CID 162058034 (PubChem CID 162058034) has the molecular formula C274H144 and a molecular weight of 3436.17 g/mol.

Molecular Properties

Compound NameCID 162058034
PubChem CID162058034
Molecular FormulaC274H144
Molecular Weight3436.17 g/mol
Exact Mass3433.13
IUPAC Name—
SMILESC.C.C.C.C.C.C.C.C.C.C1C2C3C4C5CC6C7C8C9C%10C%11C%12C%13C%14C%15CC%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C%37C%38C%39C%40C1C21C2C%41C%42C3%43C3C%44C%45C4%46C4C%47C%48C5%49C5C%50C6C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%16C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%27%24C%28%25C%29%26C%30%27C%32%31C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%401C21C%412C%42%35C%43%36C3%37C%443C%45%38C%46%39C4%40C%474C%48%41C%49%42C5%43C%506C75C86C97C%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%28%27C%29%23C%30%24C%31%25C%32%26C%33%27C%341C21C%352C%36%28C%37%29C3%30C%383C%39%31C%40%32C4%33C%414C%42%34C%435C65C76C87C98C%10%11C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%23%22C%24%19C%25%20C%26%21C%271C21C%282C%29%22C%30%23C3%24C%313C%32%25C%33%26C4%27C%345C64C75C89C%106C%117C%128C%139C%14%10C%15%11C%16%12C%17%13C%19%18C%20%14C%211C21C%222C%23%15C%24%16C3%17C%253C%26%18C%274C56C7%18C83C9%17C%10%16C%11%15C%122C%14%131.C1C2C3C4CC5C6C7C8C9C%10C%11C%12CC%13C%14C%15CC%16C%17C%18C%19C%20C%21C%22C1C21C32C45C63C74C85C96C%107C%118C%13%12C%149C%15%16C%17%10C%18%11C%19%12C%20%13C%21%14C%221C23C%144C%135C%126C%117C9%108.C1CC2C1C1C3CCC3C21
InChIInChI=1S/C204H60.C50H30.C10H14.10CH4/c1-5-13-22-28-34-36-30-24-18-9-3-11-20-27-33-38-40-43-45-44-42-41-39-32-26-21-12-4-10-19-25-31-37-35-29-23-17-8-2-7-16-15-6(1)58-50-46-14(5)63(13)69(22)76(28)82(34)84(36)78(30)72(24)65(18)61(9,11)67(20)75(27)81(33)86(38)88(40)91(43)93(45)92(44)90(42)89(41)87(39)80(32)74(26)68(21)62(10,12)66(19)73(25)79(31)85(37)83(35)77(29)71(23)64(17)57(7,8)51-47-53-60(16)56-49-55-59(15)54-48-52(58)99-95(48)101(54)106(59)103(55)96(49)102(56)105(60)100(53)94(47)97(51,64)110(71)116(77)123(83)125(85)119(79)112(73)108(66,68)113(74)120(80)127(87)129(89)130(90)132(92)133(93)131(91)128(88)126(86)121(81)114(75)107(65,67)111(72)118(78)124(84)122(82)115(76)109(69)70(46,63)98(50)104(58,99)142-136(98,109)148(115)154(122)156(124)150(118)146(111,114)152(121)157(126)159(128)162(131)164(133)163(132)161(130)160(129)158(127)151(120)145(112,113)149(119)155(125)153(123)147(116)117(94,110)137(100)143(105)139(102)135(96)141(103)144(106)140(101)134(95)138(99,142)168-165(134)170(140)174(144)171(141)166(135)169(139)173(143)167(137,147)177(153)179(155)175(149,151)182(158)184(160)185(161)187(163)188(164)186(162)183(159)181(157)176(150,152)180(156)178(154,172(142,148)168)191(168)189(165)193(170)196(174)194(171)190(166)192(169)195(173,177)198(179,182)201(184,192)200(185,190)203(187,194)204(188,196)202(186,193)199(183,189)197(180,181)191;1-5-13-6-2-10-16-21-25-26-22-18-12-4-8-14-7-3-11-17-20-24-23-19-15-9(1)27(5)31(13)28(6,10)34(16)38(21)43(25)44(26)40(22)36(18)30(8,12)32(14)29(7,11)35(17)39(20)42(24)41(23)37(19)33(15,27)45(31,34)47(37,38)49(41,43)50(42,44)48(39,40)46(32,35)36;1-2-6-5(1)9-7-3-4-8(7)10(6)9;;;;;;;;;;/h5-56H,1-4H2;5-26H,1-4H2;5-10H,1-4H2;10*1H4
InChIKeyYZLGTIPGQSUJTJ-UHFFFAOYSA-N
XLogP31.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms274
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003436.17
LogP ≤ 531.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 162058034 with MolForge

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Related Compounds

CID 59036613
CID 59036613
CID 59721921
CID 59721921
CID 174243814
CID 174243814
CID 140625573
CID 140625573
hexatetracontacyclo[13.12.11.1025,26.822,23.217,18.116,38.119,21.127,28.04,29.05,30.07,30.08,31.09,32.010,33.011,34.012,35.013,36.014,37.340,40.237,50.029,64.031,64.032,65.033,44.034,45.035,46.036,47.038,62.039,55.039,61.041,46.041,48.042,45.043,66.044,65.047,63.049,63.050,54.051,58.052,57.053,56.055,62.056,61.057,60.058,59.059,60]hexahexacontane
CID 140581447
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 58413623
CID 58413623
tetracosahectacyclo[65.3.3.24,72.26,7.28,9.210,11.212,13.214,15.216,17.218,19.220,21.222,23.224,25.226,27.228,29.230,31.234,35.236,39.240,41.242,43.244,45.246,47.248,49.250,51.252,53.254,55.256,57.258,59.260,61.262,63.264,65.166,73.03,71.069,73.070,72.3101,103.275,78.15,132.179,131.180,130.181,129.182,128.183,127.184,126.185,125.186,124.187,123.188,122.189,121.190,120.191,119.192,118.193,117.194,116.195,115.196,114.197,113.198,112.199,111.1100,110.032,106.038,104.071,76.074,75.074,77.076,133.077,160.078,79.080,81.082,83.084,85.086,87.088,89.090,91.092,93.094,95.096,97.098,99.0100,101.0102,103.0102,157.0104,105.0105,156.0106,107.0107,156.0108,109.0108,157.0109,158.0110,111.0112,113.0114,115.0116,117.0118,119.0120,121.0122,123.0124,125.0126,127.0128,129.0130,131.0132,159.0133,160.0134,135.0134,159.0135,136.0136,137.0137,138.0138,139.0139,140.0140,141.0141,142.0142,143.0143,144.0144,145.0145,146.0146,147.0147,148.0148,149.0149,150.0150,151.0151,152.0152,153.0153,154.0154,155.0155,158]hexacontahectane
CID 140590369
CID 59036615
CID 59036615
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
CID 59104663
CID 59104663
CID 20652954
CID 20652954

Frequently Asked Questions

What is the IUPAC name of CID 162058034?
The IUPAC name of CID 162058034 (CID 162058034) is not available.
What is the SMILES notation for CID 162058034?
The canonical SMILES for CID 162058034 is C.C.C.C.C.C.C.C.C.C.C1C2C3C4C5CC6C7C8C9C%10C%11C%12C%13C%14C%15CC%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C%37C%38C%39C%40C1C21C2C%41C%42C3%43C3C%44C%45C4%46C4C%47C%48C5%49C5C%50C6C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%16C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%27%24C%28%25C%29%26C%30%27C%32%31C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%401C21C%412C%42%35C%43%36C3%37C%443C%45%38C%46%39C4%40C%474C%48%41C%49%42C5%43C%506C75C86C97C%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%28%27C%29%23C%30%24C%31%25C%32%26C%33%27C%341C21C%352C%36%28C%37%29C3%30C%383C%39%31C%40%32C4%33C%414C%42%34C%435C65C76C87C98C%10%11C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%23%22C%24%19C%25%20C%26%21C%271C21C%282C%29%22C%30%23C3%24C%313C%32%25C%33%26C4%27C%345C64C75C89C%106C%117C%128C%139C%14%10C%15%11C%16%12C%17%13C%19%18C%20%14C%211C21C%222C%23%15C%24%16C3%17C%253C%26%18C%274C56C7%18C83C9%17C%10%16C%11%15C%122C%14%131.C1C2C3C4CC5C6C7C8C9C%10C%11C%12CC%13C%14C%15CC%16C%17C%18C%19C%20C%21C%22C1C21C32C45C63C74C85C96C%107C%118C%13%12C%149C%15%16C%17%10C%18%11C%19%12C%20%13C%21%14C%221C23C%144C%135C%126C%117C9%108.C1CC2C1C1C3CCC3C21.
What is the InChIKey of CID 162058034?
The InChIKey is YZLGTIPGQSUJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C204H60.C50H30.C10H14.10CH4/c1-5-13-22-28-34-36-30-24-18-9-3-11-20-27-33-38-40-43-45-44-42-41-39-32-26-21-12-4-10-19-25-31-37-35-29-23-17-8-2-7-16-15-6(1)58-50-46-14(5)63(13)69(22)76(28)82(34)84(36)78(30)72(24)65(18)61(9,11)67(20)75(27)81(33)86(38)88(40)91(43)93(45)92(44)90(42)89(41)87(39)80(32)74(26)68(21)62(10,12)66(19)73(25)79(31)85(37)83(35)77(29)71(23)64(17)57(7,8)51-47-53-60(16)56-49-55-59(15)54-48-52(58)99-95(48)101(54)106(59)103(55)96(49)102(56)105(60)100(53)94(47)97(51,64)110(71)116(77)123(83)125(85)119(79)112(73)108(66,68)113(74)120(80)127(87)129(89)130(90)132(92)133(93)131(91)128(88)126(86)121(81)114(75)107(65,67)111(72)118(78)124(84)122(82)115(76)109(69)70(46,63)98(50)104(58,99)142-136(98,109)148(115)154(122)156(124)150(118)146(111,114)152(121)157(126)159(128)162(131)164(133)163(132)161(130)160(129)158(127)151(120)145(112,113)149(119)155(125)153(123)147(116)117(94,110)137(100)143(105)139(102)135(96)141(103)144(106)140(101)134(95)138(99,142)168-165(134)170(140)174(144)171(141)166(135)169(139)173(143)167(137,147)177(153)179(155)175(149,151)182(158)184(160)185(161)187(163)188(164)186(162)183(159)181(157)176(150,152)180(156)178(154,172(142,148)168)191(168)189(165)193(170)196(174)194(171)190(166)192(169)195(173,177)198(179,182)201(184,192)200(185,190)203(187,194)204(188,196)202(186,193)199(183,189)197(180,181)191;1-5-13-6-2-10-16-21-25-26-22-18-12-4-8-14-7-3-11-17-20-24-23-19-15-9(1)27(5)31(13)28(6,10)34(16)38(21)43(25)44(26)40(22)36(18)30(8,12)32(14)29(7,11)35(17)39(20)42(24)41(23)37(19)33(15,27)45(31,34)47(37,38)49(41,43)50(42,44)48(39,40)46(32,35)36;1-2-6-5(1)9-7-3-4-8(7)10(6)9;;;;;;;;;;/h5-56H,1-4H2;5-26H,1-4H2;5-10H,1-4H2;10*1H4.
What are the key properties of CID 162058034?
CID 162058034 has a molecular weight of 3436.17 g/mol, XLogP of 31.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162058034 is sourced from PubChem (CID 162058034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).