CID 59229468

C145H56 — CID 59229468

IUPAC—
SMILESC1C2CC3C4C5CC6C7C89CCC%10%11CC%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26CC%27C%28C%29C%30C%31C%32C1C21C2C%33C%34C%35C%36C%37C%38C%39C%40C%41C3%42C43C4C56C75C46C34C%423C%417C%40%41C%39%40C%38%39C%37%38C%36%37C%35%36C%34%35C%33%34C2%33C%321C%311C%302C%29%30C%28%29C%27%26C%25%26C%24%25C%23%24C%22%23C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%13%14C%12%10C%10%12C%11C%11C8C8%13C%11%10C%10%11C%12%14C%15%12C%16%14C%17%15C%18%16C%19%17C%20%18C%21%19C%22%20C%23%21C%24%22C%25%23C%29%26C%30%24C2%25C1%33C%341C%352C%36%26C%37%27C%38%28C%39%29C%40%30C%41%31C7%32C37C43C6(C958)C%13%10C34C%11%12C%143C%155C%166C%178C%189C%19%10C%20%11C%21%12C%22%13C%24%23C%251C2%13C%26%12C%27%11C%28%10C%299C%308C%316C%325C743
InChIInChI=1S/C145H56/c1-2-51-44-14-5-10-16-11-4-8-3-9-17-21-25-22-18-12-6-13-19-23-26-28-30-32-34-33-31-29-27-24-20-15-7-50(1)45-43-46(51)88-84(43)86(45)57(15,50)61(20)65(24)68(27)70(29)72(31)74(33)75(34)73(32)71(30)69(28)67(26)64(23)60(19)54(12,13)59(18)63(22)66(25)62(21)58(17)52(8,9)47-41-39-37-35-36-38-40-42-48-55(11)56(16)49-53(10,14)85(44)90(49)93(56)92(55)89(48)83(42)81(40)79(38)77(36)76(35)78(37)80(39)82(41)87(47,58)96(62)99(66)97(63)94(59,60)98(64)103(67)106(69)109(71)112(73)114(75)113(74)110(72)107(70)104(68)100(65)95(61,86)102(84)119(88)121(90,91(51,85)88)123(93)122(92)120(89)118(83)117(81)116(79)115(77)111(76)108(78)105(80)101(82,96)125(99)124(97,98)127(103)128(105,125)131(108)130(106,127)133(109)134(111,131)137(115)136(112,133)139(114)138(113)135(110)132(107)129(104)126(100,102)143(119,123)145(122,129)144(120,132)142(118,135)141(117,138)140(116,137)139/h8-49H,1-7H2
InChIKeyPMVZPOFNFPKGGX-UHFFFAOYSA-N
MW1798.04 g/mol
LogP12.29
Rot. Bonds

About CID 59229468

CID 59229468 (PubChem CID 59229468) has the molecular formula C145H56 and a molecular weight of 1798.04 g/mol.

Molecular Properties

Compound NameCID 59229468
PubChem CID59229468
Molecular FormulaC145H56
Molecular Weight1798.04 g/mol
Exact Mass1796.44
IUPAC Name—
SMILESC1C2CC3C4C5CC6C7C89CCC%10%11CC%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26CC%27C%28C%29C%30C%31C%32C1C21C2C%33C%34C%35C%36C%37C%38C%39C%40C%41C3%42C43C4C56C75C46C34C%423C%417C%40%41C%39%40C%38%39C%37%38C%36%37C%35%36C%34%35C%33%34C2%33C%321C%311C%302C%29%30C%28%29C%27%26C%25%26C%24%25C%23%24C%22%23C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%13%14C%12%10C%10%12C%11C%11C8C8%13C%11%10C%10%11C%12%14C%15%12C%16%14C%17%15C%18%16C%19%17C%20%18C%21%19C%22%20C%23%21C%24%22C%25%23C%29%26C%30%24C2%25C1%33C%341C%352C%36%26C%37%27C%38%28C%39%29C%40%30C%41%31C7%32C37C43C6(C958)C%13%10C34C%11%12C%143C%155C%166C%178C%189C%19%10C%20%11C%21%12C%22%13C%24%23C%251C2%13C%26%12C%27%11C%28%10C%299C%308C%316C%325C743
InChIInChI=1S/C145H56/c1-2-51-44-14-5-10-16-11-4-8-3-9-17-21-25-22-18-12-6-13-19-23-26-28-30-32-34-33-31-29-27-24-20-15-7-50(1)45-43-46(51)88-84(43)86(45)57(15,50)61(20)65(24)68(27)70(29)72(31)74(33)75(34)73(32)71(30)69(28)67(26)64(23)60(19)54(12,13)59(18)63(22)66(25)62(21)58(17)52(8,9)47-41-39-37-35-36-38-40-42-48-55(11)56(16)49-53(10,14)85(44)90(49)93(56)92(55)89(48)83(42)81(40)79(38)77(36)76(35)78(37)80(39)82(41)87(47,58)96(62)99(66)97(63)94(59,60)98(64)103(67)106(69)109(71)112(73)114(75)113(74)110(72)107(70)104(68)100(65)95(61,86)102(84)119(88)121(90,91(51,85)88)123(93)122(92)120(89)118(83)117(81)116(79)115(77)111(76)108(78)105(80)101(82,96)125(99)124(97,98)127(103)128(105,125)131(108)130(106,127)133(109)134(111,131)137(115)136(112,133)139(114)138(113)135(110)132(107)129(104)126(100,102)143(119,123)145(122,129)144(120,132)142(118,135)141(117,138)140(116,137)139/h8-49H,1-7H2
InChIKeyPMVZPOFNFPKGGX-UHFFFAOYSA-N
XLogP12.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001798.04
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 59229468?
The IUPAC name of CID 59229468 (CID 59229468) is not available.
What is the SMILES notation for CID 59229468?
The canonical SMILES for CID 59229468 is C1C2CC3C4C5CC6C7C89CCC%10%11CC%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25C%26CC%27C%28C%29C%30C%31C%32C1C21C2C%33C%34C%35C%36C%37C%38C%39C%40C%41C3%42C43C4C56C75C46C34C%423C%417C%40%41C%39%40C%38%39C%37%38C%36%37C%35%36C%34%35C%33%34C2%33C%321C%311C%302C%29%30C%28%29C%27%26C%25%26C%24%25C%23%24C%22%23C%21%22C%20%21C%19%20C%18%19C%17%18C%16%17C%15%16C%14%15C%13%14C%12%10C%10%12C%11C%11C8C8%13C%11%10C%10%11C%12%14C%15%12C%16%14C%17%15C%18%16C%19%17C%20%18C%21%19C%22%20C%23%21C%24%22C%25%23C%29%26C%30%24C2%25C1%33C%341C%352C%36%26C%37%27C%38%28C%39%29C%40%30C%41%31C7%32C37C43C6(C958)C%13%10C34C%11%12C%143C%155C%166C%178C%189C%19%10C%20%11C%21%12C%22%13C%24%23C%251C2%13C%26%12C%27%11C%28%10C%299C%308C%316C%325C743.
What is the InChIKey of CID 59229468?
The InChIKey is PMVZPOFNFPKGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C145H56/c1-2-51-44-14-5-10-16-11-4-8-3-9-17-21-25-22-18-12-6-13-19-23-26-28-30-32-34-33-31-29-27-24-20-15-7-50(1)45-43-46(51)88-84(43)86(45)57(15,50)61(20)65(24)68(27)70(29)72(31)74(33)75(34)73(32)71(30)69(28)67(26)64(23)60(19)54(12,13)59(18)63(22)66(25)62(21)58(17)52(8,9)47-41-39-37-35-36-38-40-42-48-55(11)56(16)49-53(10,14)85(44)90(49)93(56)92(55)89(48)83(42)81(40)79(38)77(36)76(35)78(37)80(39)82(41)87(47,58)96(62)99(66)97(63)94(59,60)98(64)103(67)106(69)109(71)112(73)114(75)113(74)110(72)107(70)104(68)100(65)95(61,86)102(84)119(88)121(90,91(51,85)88)123(93)122(92)120(89)118(83)117(81)116(79)115(77)111(76)108(78)105(80)101(82,96)125(99)124(97,98)127(103)128(105,125)131(108)130(106,127)133(109)134(111,131)137(115)136(112,133)139(114)138(113)135(110)132(107)129(104)126(100,102)143(119,123)145(122,129)144(120,132)142(118,135)141(117,138)140(116,137)139/h8-49H,1-7H2.
What are the key properties of CID 59229468?
CID 59229468 has a molecular weight of 1798.04 g/mol, XLogP of 12.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59229468 is sourced from PubChem (CID 59229468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).