CID 59036615

C180H68 — CID 59036615

IUPAC—
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19%20C%21C%22CC%23C%24C%25C%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C%37C%38C%39CC1C1%40C%39C%38%39C%37%38C%36%37C%35%36C%34%35C%33%34C%32%31C%30%31C%29%30C%28%29C%27%28C%26%27C%25%26C%24%25C%23%22C%21%22C%19%21C%19%23C%20%24C%18%20C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C67C56C45C34C2C2C3C7C8C%32C%33C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51C%52C1C1%53C%52%54C%51%52C%50%51C%49%50C%48%49C%47%48C%46%47C%45%46C%44%45C%43%44C%42%43C%41%42C%33%41C%32%33C8%32C78C37C24C52C69C%103C72C82C%113C%123C%322C%332C%133C%143C%412C%422C%153C%163C%432C%442C%173C%183C%452C%462C%203C%243C%472C%482C%494C%505C%516C%527C%548C19C%38(C%40%39%53)C%371C%36%10C%35%11C%34%31C%30%12C%29%13C%28%14C%27%15C%26%16C%25%22C%21%17C%16%18C%15%16C%14%15C%13%14C%11%12C%10%11C19C81C78C67C56C4(C23%19)C%23%17C%186C%167C%158C%11%141
InChIInChI=1S/C180H68/c1-6-2-8-17-25-31-32-27-20-11-4-12-21-28-34-37-35-29-22-13-5-14-61-70-63-59-57-55-52-48-40-38-33-26-19-10-3-9-18-23-15-7(1)16-24-30-36-39-41-42-43-44-45-46-47-49-50-51-53-54-56-58-62-64(6)60(8)69(17)78(25)84(31)85(32)80(27)73(20)66(11,12)74(21)81(28)88(34)103(37)89(35)82(29)75(22)67(13,14)113(61)117(70)160-118(70)115(63)112(59)109(57)102(55)100(52)98(48)92(40)90(38)86(33)79(26)72(19)65(9,10)71(18)76(23)68(15,16)77(24)83(30)87(36)91(39)93(41)94(42)95(43)96(44)97(45)99(46)101(47)104(49)105(50)106(51)107(53)108(54)110(56)111(58)114(62)116(64,69)123(78)146(84)147(85)126(80)121(73,74)127(81)148(88)151(103)149(89)128(82)122(75,113)161(117)165(128)170(149)172(151)168(148)163(126,127)167(147)164(146)158(114,123)157(111)156(110)155(108)154(107)153(106)152(105)150(104)144(101)142(99)140(97)138(96)137(95)135(94)134(93)132(91)130(87)125(83)120(76,77)119(71,72)124(79,125)129(86,130)131(90,132)133(92,134)136(98,135)139(100,137)141(102,138)143(109,140)145(112,142)159(115,144)162(118,150)166(152,160)171(153)174(154)175(155)173(156)169(157,164)177(167,168)179(172,173)180(170,175)178(165,174)176(160,161)171/h6-63H,1-5H2
InChIKeyXMSXJEPNTOPPJQ-UHFFFAOYSA-N
MW2230.52 g/mol
LogP15.18
Rot. Bonds

About CID 59036615

CID 59036615 (PubChem CID 59036615) has the molecular formula C180H68 and a molecular weight of 2230.52 g/mol.

Molecular Properties

Compound NameCID 59036615
PubChem CID59036615
Molecular FormulaC180H68
Molecular Weight2230.52 g/mol
Exact Mass2228.53
IUPAC Name—
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19%20C%21C%22CC%23C%24C%25C%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C%37C%38C%39CC1C1%40C%39C%38%39C%37%38C%36%37C%35%36C%34%35C%33%34C%32%31C%30%31C%29%30C%28%29C%27%28C%26%27C%25%26C%24%25C%23%22C%21%22C%19%21C%19%23C%20%24C%18%20C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C67C56C45C34C2C2C3C7C8C%32C%33C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51C%52C1C1%53C%52%54C%51%52C%50%51C%49%50C%48%49C%47%48C%46%47C%45%46C%44%45C%43%44C%42%43C%41%42C%33%41C%32%33C8%32C78C37C24C52C69C%103C72C82C%113C%123C%322C%332C%133C%143C%412C%422C%153C%163C%432C%442C%173C%183C%452C%462C%203C%243C%472C%482C%494C%505C%516C%527C%548C19C%38(C%40%39%53)C%371C%36%10C%35%11C%34%31C%30%12C%29%13C%28%14C%27%15C%26%16C%25%22C%21%17C%16%18C%15%16C%14%15C%13%14C%11%12C%10%11C19C81C78C67C56C4(C23%19)C%23%17C%186C%167C%158C%11%141
InChIInChI=1S/C180H68/c1-6-2-8-17-25-31-32-27-20-11-4-12-21-28-34-37-35-29-22-13-5-14-61-70-63-59-57-55-52-48-40-38-33-26-19-10-3-9-18-23-15-7(1)16-24-30-36-39-41-42-43-44-45-46-47-49-50-51-53-54-56-58-62-64(6)60(8)69(17)78(25)84(31)85(32)80(27)73(20)66(11,12)74(21)81(28)88(34)103(37)89(35)82(29)75(22)67(13,14)113(61)117(70)160-118(70)115(63)112(59)109(57)102(55)100(52)98(48)92(40)90(38)86(33)79(26)72(19)65(9,10)71(18)76(23)68(15,16)77(24)83(30)87(36)91(39)93(41)94(42)95(43)96(44)97(45)99(46)101(47)104(49)105(50)106(51)107(53)108(54)110(56)111(58)114(62)116(64,69)123(78)146(84)147(85)126(80)121(73,74)127(81)148(88)151(103)149(89)128(82)122(75,113)161(117)165(128)170(149)172(151)168(148)163(126,127)167(147)164(146)158(114,123)157(111)156(110)155(108)154(107)153(106)152(105)150(104)144(101)142(99)140(97)138(96)137(95)135(94)134(93)132(91)130(87)125(83)120(76,77)119(71,72)124(79,125)129(86,130)131(90,132)133(92,134)136(98,135)139(100,137)141(102,138)143(109,140)145(112,142)159(115,144)162(118,150)166(152,160)171(153)174(154)175(155)173(156)169(157,164)177(167,168)179(172,173)180(170,175)178(165,174)176(160,161)171/h6-63H,1-5H2
InChIKeyXMSXJEPNTOPPJQ-UHFFFAOYSA-N
XLogP15.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002230.52
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 59036615?
The IUPAC name of CID 59036615 (CID 59036615) is not available.
What is the SMILES notation for CID 59036615?
The canonical SMILES for CID 59036615 is C1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19%20C%21C%22CC%23C%24C%25C%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C%37C%38C%39CC1C1%40C%39C%38%39C%37%38C%36%37C%35%36C%34%35C%33%34C%32%31C%30%31C%29%30C%28%29C%27%28C%26%27C%25%26C%24%25C%23%22C%21%22C%19%21C%19%23C%20%24C%18%20C%17%18C%16%17C%15%16C%14%15C%13%14C%12%13C%11%12C%10%11C9%10C89C67C56C45C34C2C2C3C7C8C%32C%33C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51C%52C1C1%53C%52%54C%51%52C%50%51C%49%50C%48%49C%47%48C%46%47C%45%46C%44%45C%43%44C%42%43C%41%42C%33%41C%32%33C8%32C78C37C24C52C69C%103C72C82C%113C%123C%322C%332C%133C%143C%412C%422C%153C%163C%432C%442C%173C%183C%452C%462C%203C%243C%472C%482C%494C%505C%516C%527C%548C19C%38(C%40%39%53)C%371C%36%10C%35%11C%34%31C%30%12C%29%13C%28%14C%27%15C%26%16C%25%22C%21%17C%16%18C%15%16C%14%15C%13%14C%11%12C%10%11C19C81C78C67C56C4(C23%19)C%23%17C%186C%167C%158C%11%141.
What is the InChIKey of CID 59036615?
The InChIKey is XMSXJEPNTOPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H68/c1-6-2-8-17-25-31-32-27-20-11-4-12-21-28-34-37-35-29-22-13-5-14-61-70-63-59-57-55-52-48-40-38-33-26-19-10-3-9-18-23-15-7(1)16-24-30-36-39-41-42-43-44-45-46-47-49-50-51-53-54-56-58-62-64(6)60(8)69(17)78(25)84(31)85(32)80(27)73(20)66(11,12)74(21)81(28)88(34)103(37)89(35)82(29)75(22)67(13,14)113(61)117(70)160-118(70)115(63)112(59)109(57)102(55)100(52)98(48)92(40)90(38)86(33)79(26)72(19)65(9,10)71(18)76(23)68(15,16)77(24)83(30)87(36)91(39)93(41)94(42)95(43)96(44)97(45)99(46)101(47)104(49)105(50)106(51)107(53)108(54)110(56)111(58)114(62)116(64,69)123(78)146(84)147(85)126(80)121(73,74)127(81)148(88)151(103)149(89)128(82)122(75,113)161(117)165(128)170(149)172(151)168(148)163(126,127)167(147)164(146)158(114,123)157(111)156(110)155(108)154(107)153(106)152(105)150(104)144(101)142(99)140(97)138(96)137(95)135(94)134(93)132(91)130(87)125(83)120(76,77)119(71,72)124(79,125)129(86,130)131(90,132)133(92,134)136(98,135)139(100,137)141(102,138)143(109,140)145(112,142)159(115,144)162(118,150)166(152,160)171(153)174(154)175(155)173(156)169(157,164)177(167,168)179(172,173)180(170,175)178(165,174)176(160,161)171/h6-63H,1-5H2.
What are the key properties of CID 59036615?
CID 59036615 has a molecular weight of 2230.52 g/mol, XLogP of 15.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59036615 is sourced from PubChem (CID 59036615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).