CID 20686194

C142H66 — CID 20686194

IUPAC—
SMILESC1C2C3C4C5C6C7C8C9C%10C1C1C%11C%12C%13C%14C%15C%16C%17CC%18C%19C%20C%21C%22C%23C%24CC%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36CC%37C%38C%39C2C2%40C3C43C4%41CC2%42C2%43CC4%44C4%45CC2%46C2%47CC4%48C4%49CC2%50C2%51CC4%52C%24(CC%252C%262C%274C%28%29C%30%24C%31%25C%32%26C%33%27C%34%28C%35%29C%37%36C%38%30C%39%40C%42%31C%30%29C%28%29C%43%31C%46%28C%47%30C%50%31C%512C4%24C%25%31C%26%30C%27%28%29)C%232C%224C%21%22C%20%21C%19%20C%18%17C%16%17C%15%16C%14%15C%13%14C%12%13C%11%12C%101C91C89C78C67C53C%413C%445C%456C%48%10C%49%11C%522C42C%224C%21%18C%20%17C%16%17C%15%16C%14%15C%13%14C1%12C91C89C73C53C65C%106C%112C42C%18%17C%164C%157C1%14C93C57C624
InChIInChI=1S/C142H66/c1-13-23-35-44-51-53-46-38-26-14(1)25-37-45-52-50-43-34-22-5-21-33-40-47-39-28-16-2-15-27-29-17-3-19-31-41-48-49-42-32-20-4-18-30-36-24(13)73-54(23)74(35)68-12-67(73)65-11-66(68)64-10-63(65)61-9-62(64)60-8-59(61)57-7-58(60)56(16,6-55(15,57)75(27)77(29)69(17,19)79(31)88(41)97(48)98(49)89(42)80(32)70(18,20)78(30)85(36,73)103(67)106(65)110(63)109(61)105(59)101(57,75)113(77,79)119(88,105)121(97,109)122(98,110)120(89,106)114(78,80)103)76(28)87(39)95(47)90(40)81(33)71(21,22)82(34)91(43)99(50)100(52)93(45)84(37)72(25,26)83(38)92(46)96(53)94(51)86(44,74)104(68)108(66)112(64)111(62)107(60)102(58,76)117(87)127(95)123(90)115(81,82)124(91)129(99)130(100)126(93)116(83,84)125(92)128(96)118(94,104)132(108)134(112)133(111)131(107,117)137(127)135(123,124)139(129)140(130)136(125,126)138(128,132)142(134,140)141(133,137)139/h13-54H,1-12H2
InChIKeyDLKDISDUDPHPFK-UHFFFAOYSA-N
MW1772.09 g/mol
LogP13.59
Rot. Bonds

About CID 20686194

CID 20686194 (PubChem CID 20686194) has the molecular formula C142H66 and a molecular weight of 1772.09 g/mol.

Molecular Properties

Compound NameCID 20686194
PubChem CID20686194
Molecular FormulaC142H66
Molecular Weight1772.09 g/mol
Exact Mass1770.52
IUPAC Name—
SMILESC1C2C3C4C5C6C7C8C9C%10C1C1C%11C%12C%13C%14C%15C%16C%17CC%18C%19C%20C%21C%22C%23C%24CC%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36CC%37C%38C%39C2C2%40C3C43C4%41CC2%42C2%43CC4%44C4%45CC2%46C2%47CC4%48C4%49CC2%50C2%51CC4%52C%24(CC%252C%262C%274C%28%29C%30%24C%31%25C%32%26C%33%27C%34%28C%35%29C%37%36C%38%30C%39%40C%42%31C%30%29C%28%29C%43%31C%46%28C%47%30C%50%31C%512C4%24C%25%31C%26%30C%27%28%29)C%232C%224C%21%22C%20%21C%19%20C%18%17C%16%17C%15%16C%14%15C%13%14C%12%13C%11%12C%101C91C89C78C67C53C%413C%445C%456C%48%10C%49%11C%522C42C%224C%21%18C%20%17C%16%17C%15%16C%14%15C%13%14C1%12C91C89C73C53C65C%106C%112C42C%18%17C%164C%157C1%14C93C57C624
InChIInChI=1S/C142H66/c1-13-23-35-44-51-53-46-38-26-14(1)25-37-45-52-50-43-34-22-5-21-33-40-47-39-28-16-2-15-27-29-17-3-19-31-41-48-49-42-32-20-4-18-30-36-24(13)73-54(23)74(35)68-12-67(73)65-11-66(68)64-10-63(65)61-9-62(64)60-8-59(61)57-7-58(60)56(16,6-55(15,57)75(27)77(29)69(17,19)79(31)88(41)97(48)98(49)89(42)80(32)70(18,20)78(30)85(36,73)103(67)106(65)110(63)109(61)105(59)101(57,75)113(77,79)119(88,105)121(97,109)122(98,110)120(89,106)114(78,80)103)76(28)87(39)95(47)90(40)81(33)71(21,22)82(34)91(43)99(50)100(52)93(45)84(37)72(25,26)83(38)92(46)96(53)94(51)86(44,74)104(68)108(66)112(64)111(62)107(60)102(58,76)117(87)127(95)123(90)115(81,82)124(91)129(99)130(100)126(93)116(83,84)125(92)128(96)118(94,104)132(108)134(112)133(111)131(107,117)137(127)135(123,124)139(129)140(130)136(125,126)138(128,132)142(134,140)141(133,137)139/h13-54H,1-12H2
InChIKeyDLKDISDUDPHPFK-UHFFFAOYSA-N
XLogP13.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001772.09
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20686194?
The IUPAC name of CID 20686194 (CID 20686194) is not available.
What is the SMILES notation for CID 20686194?
The canonical SMILES for CID 20686194 is C1C2C3C4C5C6C7C8C9C%10C1C1C%11C%12C%13C%14C%15C%16C%17CC%18C%19C%20C%21C%22C%23C%24CC%25C%26C%27C%28CC%29C%30C%31C%32C%33C%34C%35C%36CC%37C%38C%39C2C2%40C3C43C4%41CC2%42C2%43CC4%44C4%45CC2%46C2%47CC4%48C4%49CC2%50C2%51CC4%52C%24(CC%252C%262C%274C%28%29C%30%24C%31%25C%32%26C%33%27C%34%28C%35%29C%37%36C%38%30C%39%40C%42%31C%30%29C%28%29C%43%31C%46%28C%47%30C%50%31C%512C4%24C%25%31C%26%30C%27%28%29)C%232C%224C%21%22C%20%21C%19%20C%18%17C%16%17C%15%16C%14%15C%13%14C%12%13C%11%12C%101C91C89C78C67C53C%413C%445C%456C%48%10C%49%11C%522C42C%224C%21%18C%20%17C%16%17C%15%16C%14%15C%13%14C1%12C91C89C73C53C65C%106C%112C42C%18%17C%164C%157C1%14C93C57C624.
What is the InChIKey of CID 20686194?
The InChIKey is DLKDISDUDPHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H66/c1-13-23-35-44-51-53-46-38-26-14(1)25-37-45-52-50-43-34-22-5-21-33-40-47-39-28-16-2-15-27-29-17-3-19-31-41-48-49-42-32-20-4-18-30-36-24(13)73-54(23)74(35)68-12-67(73)65-11-66(68)64-10-63(65)61-9-62(64)60-8-59(61)57-7-58(60)56(16,6-55(15,57)75(27)77(29)69(17,19)79(31)88(41)97(48)98(49)89(42)80(32)70(18,20)78(30)85(36,73)103(67)106(65)110(63)109(61)105(59)101(57,75)113(77,79)119(88,105)121(97,109)122(98,110)120(89,106)114(78,80)103)76(28)87(39)95(47)90(40)81(33)71(21,22)82(34)91(43)99(50)100(52)93(45)84(37)72(25,26)83(38)92(46)96(53)94(51)86(44,74)104(68)108(66)112(64)111(62)107(60)102(58,76)117(87)127(95)123(90)115(81,82)124(91)129(99)130(100)126(93)116(83,84)125(92)128(96)118(94,104)132(108)134(112)133(111)131(107,117)137(127)135(123,124)139(129)140(130)136(125,126)138(128,132)142(134,140)141(133,137)139/h13-54H,1-12H2.
What are the key properties of CID 20686194?
CID 20686194 has a molecular weight of 1772.09 g/mol, XLogP of 13.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20686194 is sourced from PubChem (CID 20686194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).