CID 58783092

C133H52 — CID 58783092

IUPAC—
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C1C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%24%23C%25%20C%26%21C%27%22C%28%29C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%40%33C%41%34C%42%35C%43%36C%441C21C32C45C63C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%20%19C%21%16C%22%23C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%361C23C%284C%275C%266C%257C%248C%239C%22%10C%21%11C%20%12C%19%13C%18%14C%16%17%15
InChIInChI=1S/C133H52/c1-5-13-21-14-6-2-10-18-24-28-32-36-41-45-48-46-42-38-34-30-26-20-12-4-8-16-22-15-7-3-11-19-25-29-33-37-40-44-47-43-39-35-31-27-23-17-9(1)49(5)53(13)61(21)54(14)50(6,10)58(18)64(24)68(28)72(32)76(36)81(41)85(45)88(48)86(46)82(42)78(38)74(34)70(30)66(26)60(20)52(8,12)56(16)62(22)55(15)51(7,11)59(19)65(25)69(29)73(33)77(37)80(40)84(44)87(47)83(43)79(39)75(35)71(31)67(27)63(23)57(17,49)89(53)93(61)90(54,58)96(64)100(68)104(72)108(76)112(81)117(85)120(88)118(86)114(82)110(78)106(74)102(70)98(66)92(56,60)94(62)91(55,59)97(65)101(69)105(73)109(77)113(80)116(84)119(87)115(83)111(79)107(75)103(71)99(67)95(63,89)121(93,96)123(99,100)125(103,104)127(107,108)129(111,112)131(115,117)133(119,120)132(116,118)130(113,114)128(109,110)126(105,106)124(101,102)122(94,97)98/h5-48H,1-4H2
InChIKeyKQYUNTGVDQQLIC-UHFFFAOYSA-N
MW1649.88 g/mol
LogP10.47
Rot. Bonds

About CID 58783092

CID 58783092 (PubChem CID 58783092) has the molecular formula C133H52 and a molecular weight of 1649.88 g/mol.

Molecular Properties

Compound NameCID 58783092
PubChem CID58783092
Molecular FormulaC133H52
Molecular Weight1649.88 g/mol
Exact Mass1648.41
IUPAC Name—
SMILESC1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C1C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%24%23C%25%20C%26%21C%27%22C%28%29C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%40%33C%41%34C%42%35C%43%36C%441C21C32C45C63C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%20%19C%21%16C%22%23C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%361C23C%284C%275C%266C%257C%248C%239C%22%10C%21%11C%20%12C%19%13C%18%14C%16%17%15
InChIInChI=1S/C133H52/c1-5-13-21-14-6-2-10-18-24-28-32-36-41-45-48-46-42-38-34-30-26-20-12-4-8-16-22-15-7-3-11-19-25-29-33-37-40-44-47-43-39-35-31-27-23-17-9(1)49(5)53(13)61(21)54(14)50(6,10)58(18)64(24)68(28)72(32)76(36)81(41)85(45)88(48)86(46)82(42)78(38)74(34)70(30)66(26)60(20)52(8,12)56(16)62(22)55(15)51(7,11)59(19)65(25)69(29)73(33)77(37)80(40)84(44)87(47)83(43)79(39)75(35)71(31)67(27)63(23)57(17,49)89(53)93(61)90(54,58)96(64)100(68)104(72)108(76)112(81)117(85)120(88)118(86)114(82)110(78)106(74)102(70)98(66)92(56,60)94(62)91(55,59)97(65)101(69)105(73)109(77)113(80)116(84)119(87)115(83)111(79)107(75)103(71)99(67)95(63,89)121(93,96)123(99,100)125(103,104)127(107,108)129(111,112)131(115,117)133(119,120)132(116,118)130(113,114)128(109,110)126(105,106)124(101,102)122(94,97)98/h5-48H,1-4H2
InChIKeyKQYUNTGVDQQLIC-UHFFFAOYSA-N
XLogP10.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001649.88
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 58783092?
The IUPAC name of CID 58783092 (CID 58783092) is not available.
What is the SMILES notation for CID 58783092?
The canonical SMILES for CID 58783092 is C1C2C3C4C5C6CC7C8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23CC%24C%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36C%37C%38C%39C%40C%41C%42C%43C%44C1C21C32C43C54C67C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%24%23C%25%20C%26%21C%27%22C%28%29C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%36%29C%37%30C%38%31C%39%32C%40%33C%41%34C%42%35C%43%36C%441C21C32C45C63C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%20%19C%21%16C%22%23C%24%17C%25%18C%26%19C%27%20C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%34%27C%35%28C%361C23C%284C%275C%266C%257C%248C%239C%22%10C%21%11C%20%12C%19%13C%18%14C%16%17%15.
What is the InChIKey of CID 58783092?
The InChIKey is KQYUNTGVDQQLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H52/c1-5-13-21-14-6-2-10-18-24-28-32-36-41-45-48-46-42-38-34-30-26-20-12-4-8-16-22-15-7-3-11-19-25-29-33-37-40-44-47-43-39-35-31-27-23-17-9(1)49(5)53(13)61(21)54(14)50(6,10)58(18)64(24)68(28)72(32)76(36)81(41)85(45)88(48)86(46)82(42)78(38)74(34)70(30)66(26)60(20)52(8,12)56(16)62(22)55(15)51(7,11)59(19)65(25)69(29)73(33)77(37)80(40)84(44)87(47)83(43)79(39)75(35)71(31)67(27)63(23)57(17,49)89(53)93(61)90(54,58)96(64)100(68)104(72)108(76)112(81)117(85)120(88)118(86)114(82)110(78)106(74)102(70)98(66)92(56,60)94(62)91(55,59)97(65)101(69)105(73)109(77)113(80)116(84)119(87)115(83)111(79)107(75)103(71)99(67)95(63,89)121(93,96)123(99,100)125(103,104)127(107,108)129(111,112)131(115,117)133(119,120)132(116,118)130(113,114)128(109,110)126(105,106)124(101,102)122(94,97)98/h5-48H,1-4H2.
What are the key properties of CID 58783092?
CID 58783092 has a molecular weight of 1649.88 g/mol, XLogP of 10.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58783092 is sourced from PubChem (CID 58783092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).