CID 161214627

C240H112 — CID 161214627

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.C1C2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14C%15CC%16C%17CC%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C1C21C34C52C%281C%271C62C72C%261C%251C82C92C%241C%231C%223C%214C%205C%196C%17%18C%16%15C%146C%135C%124C%113C%1012.C1CCC1
InChIInChI=1S/C180H68.C56H36.C4H8/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;1-5-6-2-10-14-18-22-26-31-32-28-24-20-16-12-4-8-7-3-11-15-19-23-27-30-29-25-21-17-13-9(1)33(5)34(6,10)38(14)37(13,33)41(17)42(18,38)46(22)45(21,41)49(25)50(26,46)55(31)53(29,49)54(30)51(27)47(23)43(19)39(15)35(7,11)36(8,12)40(16,39)44(20,43)48(24,47)52(28,51)56(32,54)55;1-2-4-3-1/h6-63H,1-5H2;5-32H,1-4H2;1-4H2
InChIKeyUWRNYWZZYNBTFI-UHFFFAOYSA-N
MW2995.54 g/mol
LogP23.70
Rot. Bonds

About CID 161214627

CID 161214627 (PubChem CID 161214627) has the molecular formula C240H112 and a molecular weight of 2995.54 g/mol.

Molecular Properties

Compound NameCID 161214627
PubChem CID161214627
Molecular FormulaC240H112
Molecular Weight2995.54 g/mol
Exact Mass2992.88
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.C1C2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14C%15CC%16C%17CC%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C1C21C34C52C%281C%271C62C72C%261C%251C82C92C%241C%231C%223C%214C%205C%196C%17%18C%16%15C%146C%135C%124C%113C%1012.C1CCC1
InChIInChI=1S/C180H68.C56H36.C4H8/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;1-5-6-2-10-14-18-22-26-31-32-28-24-20-16-12-4-8-7-3-11-15-19-23-27-30-29-25-21-17-13-9(1)33(5)34(6,10)38(14)37(13,33)41(17)42(18,38)46(22)45(21,41)49(25)50(26,46)55(31)53(29,49)54(30)51(27)47(23)43(19)39(15)35(7,11)36(8,12)40(16,39)44(20,43)48(24,47)52(28,51)56(32,54)55;1-2-4-3-1/h6-63H,1-5H2;5-32H,1-4H2;1-4H2
InChIKeyUWRNYWZZYNBTFI-UHFFFAOYSA-N
XLogP23.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms240
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002995.54
LogP ≤ 523.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 161214627 with MolForge

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Related Compounds

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Nonacyclo[12.5.1.115,17.02,13.03,12.04,11.05,10.06,9.016,19]henicosane
CID 20665313
Nonacyclo[9.8.0.02,5.03,10.04,7.04,9.012,19.013,18.014,17]nonadecane
CID 20665314
Octacyclo[9.6.0.02,5.03,10.04,7.04,9.012,17.013,16]heptadecane
CID 20665315
CID 20667992
CID 20667992
CID 20668068
CID 20668068
CID 20670701
CID 20670701
CID 20677963
CID 20677963
4-[2-(4-Propyl-6-tetracyclo[7.2.1.13,11.01,6]tridecanyl)ethyl]decacyclo[8.8.0.01,8.02,5.02,7.03,18.09,12.010,17.011,14.011,16]octadecane
CID 20681751
Icosacyclo[33.3.1.03,31.04,23.05,15.07,10.09,12.011,14.013,16.015,18.017,20.019,22.021,24.023,26.025,28.027,30.029,32.031,34.033,36.037,39]nonatriacontane
CID 20681754
CID 20686194
CID 20686194
CID 20695692
CID 20695692

Frequently Asked Questions

What is the IUPAC name of CID 161214627?
The IUPAC name of CID 161214627 (CID 161214627) is not available.
What is the SMILES notation for CID 161214627?
The canonical SMILES for CID 161214627 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.C1C2C3CC4C5C6C7C8C9C%10C%11C%12C%13C%14C%15CC%16C%17CC%18C%19C%20C%21C%22C%23C%24C%25C%26C%27C%28C1C21C34C52C%281C%271C62C72C%261C%251C82C92C%241C%231C%223C%214C%205C%196C%17%18C%16%15C%146C%135C%124C%113C%1012.C1CCC1.
What is the InChIKey of CID 161214627?
The InChIKey is UWRNYWZZYNBTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H68.C56H36.C4H8/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;1-5-6-2-10-14-18-22-26-31-32-28-24-20-16-12-4-8-7-3-11-15-19-23-27-30-29-25-21-17-13-9(1)33(5)34(6,10)38(14)37(13,33)41(17)42(18,38)46(22)45(21,41)49(25)50(26,46)55(31)53(29,49)54(30)51(27)47(23)43(19)39(15)35(7,11)36(8,12)40(16,39)44(20,43)48(24,47)52(28,51)56(32,54)55;1-2-4-3-1/h6-63H,1-5H2;5-32H,1-4H2;1-4H2.
What are the key properties of CID 161214627?
CID 161214627 has a molecular weight of 2995.54 g/mol, XLogP of 23.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161214627 is sourced from PubChem (CID 161214627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).