CID 20652954

C231H64 — CID 20652954

IUPAC—
SMILESC1C2C3C4C5C6C7C8C9C%10CC%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C%29CC%30C%31C%32C%33C%34C%35C%36C%37C%38CC%39C%40C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51C%52C%53C%54C%55C%56C1C21C32C43C54C65C76C87C98C%10%11C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%27%24C%28%25C%30%29C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%39C%40%33C%41%34C%42%35C%43%36C%44%37C%45%38C%46%39C%47%40C%48%41C%49%42C%50%43C%51%44C%52%45C%53%46C%54%47C%55%48C%561C21C32C43C54C65C76C89C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%26%25C%27%22C%28%23C%29%24C%30%25C%31%26C%32%33C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%40%33C%41%34C%42%35C%43%36C%44%37C%45%38C%46%39C%47%40C%481C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%22%21C%23%18C%24%19C%25%20C%26%27C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%401C21C32C45C63C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%18%17C%19%14C%20%21C%22%15C%23%16C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%30%23C%31%24C%321C23C%244C%235C%226C%217C%208C%199C%18%10C%17%11C%16%12C%14%15%13
InChIInChI=1S/C231H64/c1-5-13-21-29-37-30-22-14-6-2-10-18-26-34-40-45-49-53-57-60-58-54-50-46-42-36-28-20-12-4-8-16-24-32-38-31-23-15-7-3-11-19-27-35-41-44-48-52-56-59-55-51-47-43-39-33-25-17-9(1)61(5)65(13)73(21)81(29)89(37)82(30)74(22)66(14)62(6,10)70(18)78(26)86(34)92(40)97(45)101(49)105(53)109(57)112(60)110(58)106(54)102(50)98(46)94(42)88(36)80(28)72(20)64(8,12)68(16)76(24)84(32)90(38)83(31)75(23)67(15)63(7,11)71(19)79(27)87(35)93(41)96(44)100(48)104(52)108(56)111(59)107(55)103(51)99(47)95(43)91(39)85(33)77(25)69(17,61)113(65)117(73)125(81)133(89)126(82)118(74)114(66,70)122(78)130(86)136(92)140(97)145(101)149(105)153(109)156(112)154(110)150(106)146(102)142(98)138(94)132(88)124(80)116(68,72)120(76)128(84)134(90)127(83)119(75)115(67,71)123(79)131(87)137(93)141(96)144(100)148(104)152(108)155(111)151(107)147(103)143(99)139(95)135(91)129(85)121(77,113)157(117)161(125)169(133)162(126)158(118,122)166(130)172(136)176(140)180(145)185(149)189(153)192(156)190(154)186(150)182(146)178(142)174(138)168(132)160(120,124)164(128)170(134)163(127)159(119,123)167(131)173(137)177(141)181(144)184(148)188(152)191(155)187(151)183(147)179(143)175(139)171(135)165(129,157)193(161)197(169)194(162,166)200(172)204(176)208(180)212(185)217(189)220(192)218(190)214(186)210(182)206(178)202(174)196(164,168)198(170)195(163,167)201(173)205(177)209(181)213(184)216(188)219(191)215(187)211(183)207(179)203(175)199(171,193)221(197,200)223(203,204)225(207,208)227(211,212)229(215,217)231(219,220)230(216,218)228(213,214)226(209,210)224(205,206)222(198,201)202/h5-60H,1-4H2
InChIKeyFGFGBSOPPNYREZ-UHFFFAOYSA-N
MW2839.05 g/mol
LogP18.93
Rot. Bonds

About CID 20652954

CID 20652954 (PubChem CID 20652954) has the molecular formula C231H64 and a molecular weight of 2839.05 g/mol.

Molecular Properties

Compound NameCID 20652954
PubChem CID20652954
Molecular FormulaC231H64
Molecular Weight2839.05 g/mol
Exact Mass2836.50
IUPAC Name—
SMILESC1C2C3C4C5C6C7C8C9C%10CC%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C%29CC%30C%31C%32C%33C%34C%35C%36C%37C%38CC%39C%40C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51C%52C%53C%54C%55C%56C1C21C32C43C54C65C76C87C98C%10%11C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%27%24C%28%25C%30%29C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%39C%40%33C%41%34C%42%35C%43%36C%44%37C%45%38C%46%39C%47%40C%48%41C%49%42C%50%43C%51%44C%52%45C%53%46C%54%47C%55%48C%561C21C32C43C54C65C76C89C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%26%25C%27%22C%28%23C%29%24C%30%25C%31%26C%32%33C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%40%33C%41%34C%42%35C%43%36C%44%37C%45%38C%46%39C%47%40C%481C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%22%21C%23%18C%24%19C%25%20C%26%27C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%401C21C32C45C63C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%18%17C%19%14C%20%21C%22%15C%23%16C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%30%23C%31%24C%321C23C%244C%235C%226C%217C%208C%199C%18%10C%17%11C%16%12C%14%15%13
InChIInChI=1S/C231H64/c1-5-13-21-29-37-30-22-14-6-2-10-18-26-34-40-45-49-53-57-60-58-54-50-46-42-36-28-20-12-4-8-16-24-32-38-31-23-15-7-3-11-19-27-35-41-44-48-52-56-59-55-51-47-43-39-33-25-17-9(1)61(5)65(13)73(21)81(29)89(37)82(30)74(22)66(14)62(6,10)70(18)78(26)86(34)92(40)97(45)101(49)105(53)109(57)112(60)110(58)106(54)102(50)98(46)94(42)88(36)80(28)72(20)64(8,12)68(16)76(24)84(32)90(38)83(31)75(23)67(15)63(7,11)71(19)79(27)87(35)93(41)96(44)100(48)104(52)108(56)111(59)107(55)103(51)99(47)95(43)91(39)85(33)77(25)69(17,61)113(65)117(73)125(81)133(89)126(82)118(74)114(66,70)122(78)130(86)136(92)140(97)145(101)149(105)153(109)156(112)154(110)150(106)146(102)142(98)138(94)132(88)124(80)116(68,72)120(76)128(84)134(90)127(83)119(75)115(67,71)123(79)131(87)137(93)141(96)144(100)148(104)152(108)155(111)151(107)147(103)143(99)139(95)135(91)129(85)121(77,113)157(117)161(125)169(133)162(126)158(118,122)166(130)172(136)176(140)180(145)185(149)189(153)192(156)190(154)186(150)182(146)178(142)174(138)168(132)160(120,124)164(128)170(134)163(127)159(119,123)167(131)173(137)177(141)181(144)184(148)188(152)191(155)187(151)183(147)179(143)175(139)171(135)165(129,157)193(161)197(169)194(162,166)200(172)204(176)208(180)212(185)217(189)220(192)218(190)214(186)210(182)206(178)202(174)196(164,168)198(170)195(163,167)201(173)205(177)209(181)213(184)216(188)219(191)215(187)211(183)207(179)203(175)199(171,193)221(197,200)223(203,204)225(207,208)227(211,212)229(215,217)231(219,220)230(216,218)228(213,214)226(209,210)224(205,206)222(198,201)202/h5-60H,1-4H2
InChIKeyFGFGBSOPPNYREZ-UHFFFAOYSA-N
XLogP18.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms231
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002839.05
LogP ≤ 518.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20652954?
The IUPAC name of CID 20652954 (CID 20652954) is not available.
What is the SMILES notation for CID 20652954?
The canonical SMILES for CID 20652954 is C1C2C3C4C5C6C7C8C9C%10CC%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C%29CC%30C%31C%32C%33C%34C%35C%36C%37C%38CC%39C%40C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51C%52C%53C%54C%55C%56C1C21C32C43C54C65C76C87C98C%10%11C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%27%24C%28%25C%30%29C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%39C%40%33C%41%34C%42%35C%43%36C%44%37C%45%38C%46%39C%47%40C%48%41C%49%42C%50%43C%51%44C%52%45C%53%46C%54%47C%55%48C%561C21C32C43C54C65C76C89C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%26%25C%27%22C%28%23C%29%24C%30%25C%31%26C%32%33C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%40%33C%41%34C%42%35C%43%36C%44%37C%45%38C%46%39C%47%40C%481C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%22%21C%23%18C%24%19C%25%20C%26%27C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%401C21C32C45C63C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%18%17C%19%14C%20%21C%22%15C%23%16C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%30%23C%31%24C%321C23C%244C%235C%226C%217C%208C%199C%18%10C%17%11C%16%12C%14%15%13.
What is the InChIKey of CID 20652954?
The InChIKey is FGFGBSOPPNYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C231H64/c1-5-13-21-29-37-30-22-14-6-2-10-18-26-34-40-45-49-53-57-60-58-54-50-46-42-36-28-20-12-4-8-16-24-32-38-31-23-15-7-3-11-19-27-35-41-44-48-52-56-59-55-51-47-43-39-33-25-17-9(1)61(5)65(13)73(21)81(29)89(37)82(30)74(22)66(14)62(6,10)70(18)78(26)86(34)92(40)97(45)101(49)105(53)109(57)112(60)110(58)106(54)102(50)98(46)94(42)88(36)80(28)72(20)64(8,12)68(16)76(24)84(32)90(38)83(31)75(23)67(15)63(7,11)71(19)79(27)87(35)93(41)96(44)100(48)104(52)108(56)111(59)107(55)103(51)99(47)95(43)91(39)85(33)77(25)69(17,61)113(65)117(73)125(81)133(89)126(82)118(74)114(66,70)122(78)130(86)136(92)140(97)145(101)149(105)153(109)156(112)154(110)150(106)146(102)142(98)138(94)132(88)124(80)116(68,72)120(76)128(84)134(90)127(83)119(75)115(67,71)123(79)131(87)137(93)141(96)144(100)148(104)152(108)155(111)151(107)147(103)143(99)139(95)135(91)129(85)121(77,113)157(117)161(125)169(133)162(126)158(118,122)166(130)172(136)176(140)180(145)185(149)189(153)192(156)190(154)186(150)182(146)178(142)174(138)168(132)160(120,124)164(128)170(134)163(127)159(119,123)167(131)173(137)177(141)181(144)184(148)188(152)191(155)187(151)183(147)179(143)175(139)171(135)165(129,157)193(161)197(169)194(162,166)200(172)204(176)208(180)212(185)217(189)220(192)218(190)214(186)210(182)206(178)202(174)196(164,168)198(170)195(163,167)201(173)205(177)209(181)213(184)216(188)219(191)215(187)211(183)207(179)203(175)199(171,193)221(197,200)223(203,204)225(207,208)227(211,212)229(215,217)231(219,220)230(216,218)228(213,214)226(209,210)224(205,206)222(198,201)202/h5-60H,1-4H2.
What are the key properties of CID 20652954?
CID 20652954 has a molecular weight of 2839.05 g/mol, XLogP of 18.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20652954 is sourced from PubChem (CID 20652954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).