CID 58413623

C211H66 — CID 58413623

IUPAC—
SMILESC1C2C3C4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28C%29C%30CC%31C%32C%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51CC%52C%53C%54C1C1%55C2C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%19%18C%20%19C%21%20C%22%21C%24%23C%25%22C%26%23C%27%24C%28%25C%29%26C%30%31C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%40%35C%41%36C%42%37C%43%38C%44%39C%45%40C%46%41C%47%42C%48%43C%49%44C%50%45C%52%51C%46%47C%53C%48C%54%49C1C1%50C%552C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%19%18C%20%19C%22%21C%23%20C%24%21C%25%22C%26%27C%28%23C%29%24C%30%25C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%40%35C%41%36C%42%37C%43%38C%44%39C%45%46C%40%41C%48%47C%491C%401C%502C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%20%19C%21%18C%22%23C%24%19C%25%20C%26%21C%27%22C%28%23C%29%24C%30%25C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%41C12C%333C%324C%315C%306C%297C%288C%279C%26%10C%25%11C%24%12C%23%13C%22%14C%21%15C%20%16C%18%19%17
InChIInChI=1S/C211H66/c1-5-14-22-28-33-37-41-45-49-53-57-59-56-52-48-44-40-36-32-27-20-12-4-10-18-24-29-23-17-9-3-11-19-26-31-35-39-43-47-51-55-58-54-50-46-42-38-34-30-25-16-8-2-6-13-15-7(1)63-60(5)68(14)75(22)81(28)86(33)90(37)94(41)98(45)102(49)106(53)110(57)112(59)109(56)105(52)101(48)97(44)93(40)89(36)85(32)80(27)73(20)67(10,12)71(18)78(24)82(29)77(23)70(17)66(9,11)72(19)79(26)84(31)88(35)92(39)96(43)100(47)104(51)108(55)111(58)107(54)103(50)99(46)95(42)91(38)87(34)83(30)76(25)69(16)65(6,8)74-21(13)61-64(15)62(63)114-115(63,68)120(75)126(81)131(86)135(90)139(94)143(98)147(102)151(106)155(110)157(112)153(109)149(105)145(101)141(97)137(93)133(89)129(85)124(80)118(71,73)122(78)127(82)121(77)117(70,72)123(79)128(84)132(88)136(92)140(96)144(100)148(104)152(108)156(111)154(107)150(103)146(99)142(95)138(91)134(87)130(83)125(76)119(69,74)158-113(61,74)116(64,114)160(158)159(114,120)164(126)169(131)173(135)177(139)181(143)185(147)189(151)193(155)195(157)191(153)187(149)183(145)179(141)175(137)171(133)167(129)162(122,124)165(127)161(121,123)166(128)170(132)174(136)178(140)182(144)186(148)190(152)194(156)192(154)188(150)184(146)180(142)176(138)172(134)168(130)163(125,158)196(160,164)198(168,169)200(172,173)202(176,177)204(180,181)206(184,185)208(188,189)210(192,193)211(194,195)209(190,191)207(186,187)205(182,183)203(178,179)201(174,175)199(170,171)197(165,166)167/h5-62H,1-4H2
InChIKeyBRPIVPCNIWXTPS-UHFFFAOYSA-N
MW2600.85 g/mol
LogP17.39
Rot. Bonds

About CID 58413623

CID 58413623 (PubChem CID 58413623) has the molecular formula C211H66 and a molecular weight of 2600.85 g/mol.

Molecular Properties

Compound NameCID 58413623
PubChem CID58413623
Molecular FormulaC211H66
Molecular Weight2600.85 g/mol
Exact Mass2598.52
IUPAC Name—
SMILESC1C2C3C4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28C%29C%30CC%31C%32C%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51CC%52C%53C%54C1C1%55C2C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%19%18C%20%19C%21%20C%22%21C%24%23C%25%22C%26%23C%27%24C%28%25C%29%26C%30%31C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%40%35C%41%36C%42%37C%43%38C%44%39C%45%40C%46%41C%47%42C%48%43C%49%44C%50%45C%52%51C%46%47C%53C%48C%54%49C1C1%50C%552C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%19%18C%20%19C%22%21C%23%20C%24%21C%25%22C%26%27C%28%23C%29%24C%30%25C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%40%35C%41%36C%42%37C%43%38C%44%39C%45%46C%40%41C%48%47C%491C%401C%502C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%20%19C%21%18C%22%23C%24%19C%25%20C%26%21C%27%22C%28%23C%29%24C%30%25C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%41C12C%333C%324C%315C%306C%297C%288C%279C%26%10C%25%11C%24%12C%23%13C%22%14C%21%15C%20%16C%18%19%17
InChIInChI=1S/C211H66/c1-5-14-22-28-33-37-41-45-49-53-57-59-56-52-48-44-40-36-32-27-20-12-4-10-18-24-29-23-17-9-3-11-19-26-31-35-39-43-47-51-55-58-54-50-46-42-38-34-30-25-16-8-2-6-13-15-7(1)63-60(5)68(14)75(22)81(28)86(33)90(37)94(41)98(45)102(49)106(53)110(57)112(59)109(56)105(52)101(48)97(44)93(40)89(36)85(32)80(27)73(20)67(10,12)71(18)78(24)82(29)77(23)70(17)66(9,11)72(19)79(26)84(31)88(35)92(39)96(43)100(47)104(51)108(55)111(58)107(54)103(50)99(46)95(42)91(38)87(34)83(30)76(25)69(16)65(6,8)74-21(13)61-64(15)62(63)114-115(63,68)120(75)126(81)131(86)135(90)139(94)143(98)147(102)151(106)155(110)157(112)153(109)149(105)145(101)141(97)137(93)133(89)129(85)124(80)118(71,73)122(78)127(82)121(77)117(70,72)123(79)128(84)132(88)136(92)140(96)144(100)148(104)152(108)156(111)154(107)150(103)146(99)142(95)138(91)134(87)130(83)125(76)119(69,74)158-113(61,74)116(64,114)160(158)159(114,120)164(126)169(131)173(135)177(139)181(143)185(147)189(151)193(155)195(157)191(153)187(149)183(145)179(141)175(137)171(133)167(129)162(122,124)165(127)161(121,123)166(128)170(132)174(136)178(140)182(144)186(148)190(152)194(156)192(154)188(150)184(146)180(142)176(138)172(134)168(130)163(125,158)196(160,164)198(168,169)200(172,173)202(176,177)204(180,181)206(184,185)208(188,189)210(192,193)211(194,195)209(190,191)207(186,187)205(182,183)203(178,179)201(174,175)199(170,171)197(165,166)167/h5-62H,1-4H2
InChIKeyBRPIVPCNIWXTPS-UHFFFAOYSA-N
XLogP17.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms211
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002600.85
LogP ≤ 517.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 58413623?
The IUPAC name of CID 58413623 (CID 58413623) is not available.
What is the SMILES notation for CID 58413623?
The canonical SMILES for CID 58413623 is C1C2C3C4C5C6C7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28C%29C%30CC%31C%32C%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C%45C%46C%47C%48C%49C%50C%51CC%52C%53C%54C1C1%55C2C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%19%18C%20%19C%21%20C%22%21C%24%23C%25%22C%26%23C%27%24C%28%25C%29%26C%30%31C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%40%35C%41%36C%42%37C%43%38C%44%39C%45%40C%46%41C%47%42C%48%43C%49%44C%50%45C%52%51C%46%47C%53C%48C%54%49C1C1%50C%552C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%19%18C%20%19C%22%21C%23%20C%24%21C%25%22C%26%27C%28%23C%29%24C%30%25C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%34C%40%35C%41%36C%42%37C%43%38C%44%39C%45%46C%40%41C%48%47C%491C%401C%502C32C43C54C65C76C87C98C%109C%11%10C%12%11C%13%12C%14%13C%15%14C%16%15C%17%16C%18%17C%20%19C%21%18C%22%23C%24%19C%25%20C%26%21C%27%22C%28%23C%29%24C%30%25C%31%26C%32%27C%33%28C%34%29C%35%30C%36%31C%37%32C%38%33C%39%41C12C%333C%324C%315C%306C%297C%288C%279C%26%10C%25%11C%24%12C%23%13C%22%14C%21%15C%20%16C%18%19%17.
What is the InChIKey of CID 58413623?
The InChIKey is BRPIVPCNIWXTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C211H66/c1-5-14-22-28-33-37-41-45-49-53-57-59-56-52-48-44-40-36-32-27-20-12-4-10-18-24-29-23-17-9-3-11-19-26-31-35-39-43-47-51-55-58-54-50-46-42-38-34-30-25-16-8-2-6-13-15-7(1)63-60(5)68(14)75(22)81(28)86(33)90(37)94(41)98(45)102(49)106(53)110(57)112(59)109(56)105(52)101(48)97(44)93(40)89(36)85(32)80(27)73(20)67(10,12)71(18)78(24)82(29)77(23)70(17)66(9,11)72(19)79(26)84(31)88(35)92(39)96(43)100(47)104(51)108(55)111(58)107(54)103(50)99(46)95(42)91(38)87(34)83(30)76(25)69(16)65(6,8)74-21(13)61-64(15)62(63)114-115(63,68)120(75)126(81)131(86)135(90)139(94)143(98)147(102)151(106)155(110)157(112)153(109)149(105)145(101)141(97)137(93)133(89)129(85)124(80)118(71,73)122(78)127(82)121(77)117(70,72)123(79)128(84)132(88)136(92)140(96)144(100)148(104)152(108)156(111)154(107)150(103)146(99)142(95)138(91)134(87)130(83)125(76)119(69,74)158-113(61,74)116(64,114)160(158)159(114,120)164(126)169(131)173(135)177(139)181(143)185(147)189(151)193(155)195(157)191(153)187(149)183(145)179(141)175(137)171(133)167(129)162(122,124)165(127)161(121,123)166(128)170(132)174(136)178(140)182(144)186(148)190(152)194(156)192(154)188(150)184(146)180(142)176(138)172(134)168(130)163(125,158)196(160,164)198(168,169)200(172,173)202(176,177)204(180,181)206(184,185)208(188,189)210(192,193)211(194,195)209(190,191)207(186,187)205(182,183)203(178,179)201(174,175)199(170,171)197(165,166)167/h5-62H,1-4H2.
What are the key properties of CID 58413623?
CID 58413623 has a molecular weight of 2600.85 g/mol, XLogP of 17.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58413623 is sourced from PubChem (CID 58413623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).