CID 20686197

C141H84 — CID 20686197

IUPAC—
SMILESCC1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16CC(C%17C%18C%19CC%20C%21C%22C%23C%24C%25C%26C%27CC%28C%29C%30CC%31C%32C%33C%34C%35C%36C%37CC%17%38C%18%17C%19%20C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%28%27C%29%24C%30%31C%32%25C%33%26C%34%27C%35%28C%36%29C%37%38C%17%18C%29%19C%28%20C%27%21C%26%22C%24%25%23)C%17CC%18%19C%17C%17C%20C%21C%22C%23C%16C%15%16C%23%15C%22%23C%21%22C%20%21C%17%18C%17%18C%19(C)C%19(C)C%20(C)C%24(C)C%25(C)C%26(C)C1(C)C21C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%16C%15%11C%23%12C%22%13C%21%17C%14%15C%19%18C%20%16C%24%17C%25%18C%261C21C32C43C56C74C85C96C%10%11C%127C%13%14C89C%16%15C%17%10C%181C21C34C5(C678)C%1019
InChIInChI=1S/C141H84/c1-16-29-42-52-49-39-26-13-27-40-50-59-61-55-45-33-18-9-17(30-35-22-12-23-36-47-57-58-48-38-25-11-21-34-20-10-24-37-46-56-51-41-28-15-70(30)76(28)88(41)98(51)99(56)92(46)82(37)72(20,24)80(34)73(21,25)83(38)93(48)101(58)100(57)91(47)81(36)71(22,23)78(35,70)112(76,81)116(88,91)118(98,100)119(99,101)117(92,93)113(80,82)83)19-14-69-31(19)43-53-60-54-44-32(18)75(33)86(44)96(54)103(60)90(53)79(43,69)107-68(69,8)67(7)66(6)65(5)64(4)63(3)62(16,2)77(29)89(42)102(52)94(49)84(39)74(26,27)85(40)95(50)104(59)105(61)97(55)87(45,75)115(86)124(96)127(103)121(90,107)131-109(67,107)111(66)110(65)108(64)106(63,77)120(89)126(102)122(94)114(84,85)123(95)128(104)129(105)125(97,115)135(124)137(127,131)141-133(111,131)132(110)130(108,120)136(126)134(122,123)138(128,139(129,135)141)140(132,136)141/h16-61H,9-15H2,1-8H3
InChIKeyYONPCVUONYSQOX-UHFFFAOYSA-N
MW1778.22 g/mol
LogP15.58
Rot. Bonds1

About CID 20686197

CID 20686197 (PubChem CID 20686197) has the molecular formula C141H84 and a molecular weight of 1778.22 g/mol.

Molecular Properties

Compound NameCID 20686197
PubChem CID20686197
Molecular FormulaC141H84
Molecular Weight1778.22 g/mol
Exact Mass1776.66
IUPAC Name—
SMILESCC1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16CC(C%17C%18C%19CC%20C%21C%22C%23C%24C%25C%26C%27CC%28C%29C%30CC%31C%32C%33C%34C%35C%36C%37CC%17%38C%18%17C%19%20C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%28%27C%29%24C%30%31C%32%25C%33%26C%34%27C%35%28C%36%29C%37%38C%17%18C%29%19C%28%20C%27%21C%26%22C%24%25%23)C%17CC%18%19C%17C%17C%20C%21C%22C%23C%16C%15%16C%23%15C%22%23C%21%22C%20%21C%17%18C%17%18C%19(C)C%19(C)C%20(C)C%24(C)C%25(C)C%26(C)C1(C)C21C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%16C%15%11C%23%12C%22%13C%21%17C%14%15C%19%18C%20%16C%24%17C%25%18C%261C21C32C43C56C74C85C96C%10%11C%127C%13%14C89C%16%15C%17%10C%181C21C34C5(C678)C%1019
InChIInChI=1S/C141H84/c1-16-29-42-52-49-39-26-13-27-40-50-59-61-55-45-33-18-9-17(30-35-22-12-23-36-47-57-58-48-38-25-11-21-34-20-10-24-37-46-56-51-41-28-15-70(30)76(28)88(41)98(51)99(56)92(46)82(37)72(20,24)80(34)73(21,25)83(38)93(48)101(58)100(57)91(47)81(36)71(22,23)78(35,70)112(76,81)116(88,91)118(98,100)119(99,101)117(92,93)113(80,82)83)19-14-69-31(19)43-53-60-54-44-32(18)75(33)86(44)96(54)103(60)90(53)79(43,69)107-68(69,8)67(7)66(6)65(5)64(4)63(3)62(16,2)77(29)89(42)102(52)94(49)84(39)74(26,27)85(40)95(50)104(59)105(61)97(55)87(45,75)115(86)124(96)127(103)121(90,107)131-109(67,107)111(66)110(65)108(64)106(63,77)120(89)126(102)122(94)114(84,85)123(95)128(104)129(105)125(97,115)135(124)137(127,131)141-133(111,131)132(110)130(108,120)136(126)134(122,123)138(128,139(129,135)141)140(132,136)141/h16-61H,9-15H2,1-8H3
InChIKeyYONPCVUONYSQOX-UHFFFAOYSA-N
XLogP15.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001778.22
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20686197?
The IUPAC name of CID 20686197 (CID 20686197) is not available.
What is the SMILES notation for CID 20686197?
The canonical SMILES for CID 20686197 is CC1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16CC(C%17C%18C%19CC%20C%21C%22C%23C%24C%25C%26C%27CC%28C%29C%30CC%31C%32C%33C%34C%35C%36C%37CC%17%38C%18%17C%19%20C%21%18C%22%19C%23%20C%24%21C%25%22C%26%23C%28%27C%29%24C%30%31C%32%25C%33%26C%34%27C%35%28C%36%29C%37%38C%17%18C%29%19C%28%20C%27%21C%26%22C%24%25%23)C%17CC%18%19C%17C%17C%20C%21C%22C%23C%16C%15%16C%23%15C%22%23C%21%22C%20%21C%17%18C%17%18C%19(C)C%19(C)C%20(C)C%24(C)C%25(C)C%26(C)C1(C)C21C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%16C%15%11C%23%12C%22%13C%21%17C%14%15C%19%18C%20%16C%24%17C%25%18C%261C21C32C43C56C74C85C96C%10%11C%127C%13%14C89C%16%15C%17%10C%181C21C34C5(C678)C%1019.
What is the InChIKey of CID 20686197?
The InChIKey is YONPCVUONYSQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C141H84/c1-16-29-42-52-49-39-26-13-27-40-50-59-61-55-45-33-18-9-17(30-35-22-12-23-36-47-57-58-48-38-25-11-21-34-20-10-24-37-46-56-51-41-28-15-70(30)76(28)88(41)98(51)99(56)92(46)82(37)72(20,24)80(34)73(21,25)83(38)93(48)101(58)100(57)91(47)81(36)71(22,23)78(35,70)112(76,81)116(88,91)118(98,100)119(99,101)117(92,93)113(80,82)83)19-14-69-31(19)43-53-60-54-44-32(18)75(33)86(44)96(54)103(60)90(53)79(43,69)107-68(69,8)67(7)66(6)65(5)64(4)63(3)62(16,2)77(29)89(42)102(52)94(49)84(39)74(26,27)85(40)95(50)104(59)105(61)97(55)87(45,75)115(86)124(96)127(103)121(90,107)131-109(67,107)111(66)110(65)108(64)106(63,77)120(89)126(102)122(94)114(84,85)123(95)128(104)129(105)125(97,115)135(124)137(127,131)141-133(111,131)132(110)130(108,120)136(126)134(122,123)138(128,139(129,135)141)140(132,136)141/h16-61H,9-15H2,1-8H3.
What are the key properties of CID 20686197?
CID 20686197 has a molecular weight of 1778.22 g/mol, XLogP of 15.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20686197 is sourced from PubChem (CID 20686197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).