CID 20695692

C161H58 — CID 20695692

IUPAC—
SMILESC1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25CC%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C1C1%37C2C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%26%25C%27%22C%28%23C%29%24C%30%25C%31%26C%32C%27C%28C%29C%33%30C%31C%32C%33C%34%38C%34C%39C%40C%35C%35%41C%42C%36%43C1C1%36C%372C32C43C56C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%22%21C%23%18C%24%19C%25%20C%27%26C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%38%27C%34%28C%39%29C%40%35C%30%31C%41%32C%42%33C%431C1%34C%362C34C51C61C%33%34C%322C71C81C%302C23C%29%31C%284C%275C%266C%257C%248C%23%24C%22%23C%21%20C%19%20C%18%17C%16%17C%23%20C%24%16C%15%17C%14%15C%13%14C7(C8%15%16)C67C%12%14C%116C%10(C912)C43C576
InChIInChI=1S/C161H58/c1-5-14-23-13-17-7-2-6-16-25-27-19-9-3-11-21-30-33-35-37-39-41-43-44-42-40-38-36-34-31-22-12-4-10-20-29-28-18-8(1)61-15(5)26-45-49-56(14)51-47-52-57(23)50-46-32-24(13)63-54-58(17)53-55(7)48(6)62(16)70(25)72(27)64(19)59(9,11)66(21)74(30)77(33)79(35)81(37)83(39)85(41)87(43)88(44)86(42)84(40)82(38)80(36)78(34)75(31)67(22)60(10,12)65(20)73(29)76(28)68(18,61)105-69(26,61)89(45)92(49)99(56)94(51)91(47)95(52)100(57)93(50)90(46)71(32,63)107-102(63)97(54)101(58)96(53)98(55,62)106(70)108(72)103(64,66)111(74)114(77)116(79)118(81)120(83)122(85)124(87)125(88)123(86)121(84)119(82)117(80)115(78)112(75)104(65,67)109(73)110(76,105)140-113(89,105)128(92)134(99)130(94)127(91)131(95)135(100)129(93)126(90,107)152-142(107)137(102)133(97)136(101)132(96,106)138(108,111)143(114,136)141(116,133)144(118,137)146(120,142)147(122,152)150(124)155(125)151(123)148(121)149(119)154(117)145(115,139(109,112)140)156(128,140)160(134,154)158(130,149)153(127,148)159(131,151)161(135,155)157(129,150)152/h5-54H,1-4H2
InChIKeySXNQCUNHPPAMBO-UHFFFAOYSA-N
MW1992.23 g/mol
LogP12.99
Rot. Bonds

About CID 20695692

CID 20695692 (PubChem CID 20695692) has the molecular formula C161H58 and a molecular weight of 1992.23 g/mol.

Molecular Properties

Compound NameCID 20695692
PubChem CID20695692
Molecular FormulaC161H58
Molecular Weight1992.23 g/mol
Exact Mass1990.45
IUPAC Name—
SMILESC1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25CC%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C1C1%37C2C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%26%25C%27%22C%28%23C%29%24C%30%25C%31%26C%32C%27C%28C%29C%33%30C%31C%32C%33C%34%38C%34C%39C%40C%35C%35%41C%42C%36%43C1C1%36C%372C32C43C56C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%22%21C%23%18C%24%19C%25%20C%27%26C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%38%27C%34%28C%39%29C%40%35C%30%31C%41%32C%42%33C%431C1%34C%362C34C51C61C%33%34C%322C71C81C%302C23C%29%31C%284C%275C%266C%257C%248C%23%24C%22%23C%21%20C%19%20C%18%17C%16%17C%23%20C%24%16C%15%17C%14%15C%13%14C7(C8%15%16)C67C%12%14C%116C%10(C912)C43C576
InChIInChI=1S/C161H58/c1-5-14-23-13-17-7-2-6-16-25-27-19-9-3-11-21-30-33-35-37-39-41-43-44-42-40-38-36-34-31-22-12-4-10-20-29-28-18-8(1)61-15(5)26-45-49-56(14)51-47-52-57(23)50-46-32-24(13)63-54-58(17)53-55(7)48(6)62(16)70(25)72(27)64(19)59(9,11)66(21)74(30)77(33)79(35)81(37)83(39)85(41)87(43)88(44)86(42)84(40)82(38)80(36)78(34)75(31)67(22)60(10,12)65(20)73(29)76(28)68(18,61)105-69(26,61)89(45)92(49)99(56)94(51)91(47)95(52)100(57)93(50)90(46)71(32,63)107-102(63)97(54)101(58)96(53)98(55,62)106(70)108(72)103(64,66)111(74)114(77)116(79)118(81)120(83)122(85)124(87)125(88)123(86)121(84)119(82)117(80)115(78)112(75)104(65,67)109(73)110(76,105)140-113(89,105)128(92)134(99)130(94)127(91)131(95)135(100)129(93)126(90,107)152-142(107)137(102)133(97)136(101)132(96,106)138(108,111)143(114,136)141(116,133)144(118,137)146(120,142)147(122,152)150(124)155(125)151(123)148(121)149(119)154(117)145(115,139(109,112)140)156(128,140)160(134,154)158(130,149)153(127,148)159(131,151)161(135,155)157(129,150)152/h5-54H,1-4H2
InChIKeySXNQCUNHPPAMBO-UHFFFAOYSA-N
XLogP12.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001992.23
LogP ≤ 512.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 20695692?
The IUPAC name of CID 20695692 (CID 20695692) is not available.
What is the SMILES notation for CID 20695692?
The canonical SMILES for CID 20695692 is C1C2C3C4C5C6C7CC8C9C%10C%11C%12C%13C%14C%15C%16C%17C%18C%19C%20C%21C%22C%23C%24C%25CC%26C%27C%28C%29C%30C%31CC%32C%33C%34C%35C%36C1C1%37C2C32C43C54C65C78C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%21%18C%22%19C%23%20C%24%21C%26%25C%27%22C%28%23C%29%24C%30%25C%31%26C%32C%27C%28C%29C%33%30C%31C%32C%33C%34%38C%34C%39C%40C%35C%35%41C%42C%36%43C1C1%36C%372C32C43C56C74C85C96C%107C%118C%129C%13%10C%14%11C%15%12C%16%13C%17%14C%18%15C%19%16C%20%17C%22%21C%23%18C%24%19C%25%20C%27%26C%28%21C%29%22C%30%23C%31%24C%32%25C%33%26C%38%27C%34%28C%39%29C%40%35C%30%31C%41%32C%42%33C%431C1%34C%362C34C51C61C%33%34C%322C71C81C%302C23C%29%31C%284C%275C%266C%257C%248C%23%24C%22%23C%21%20C%19%20C%18%17C%16%17C%23%20C%24%16C%15%17C%14%15C%13%14C7(C8%15%16)C67C%12%14C%116C%10(C912)C43C576.
What is the InChIKey of CID 20695692?
The InChIKey is SXNQCUNHPPAMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C161H58/c1-5-14-23-13-17-7-2-6-16-25-27-19-9-3-11-21-30-33-35-37-39-41-43-44-42-40-38-36-34-31-22-12-4-10-20-29-28-18-8(1)61-15(5)26-45-49-56(14)51-47-52-57(23)50-46-32-24(13)63-54-58(17)53-55(7)48(6)62(16)70(25)72(27)64(19)59(9,11)66(21)74(30)77(33)79(35)81(37)83(39)85(41)87(43)88(44)86(42)84(40)82(38)80(36)78(34)75(31)67(22)60(10,12)65(20)73(29)76(28)68(18,61)105-69(26,61)89(45)92(49)99(56)94(51)91(47)95(52)100(57)93(50)90(46)71(32,63)107-102(63)97(54)101(58)96(53)98(55,62)106(70)108(72)103(64,66)111(74)114(77)116(79)118(81)120(83)122(85)124(87)125(88)123(86)121(84)119(82)117(80)115(78)112(75)104(65,67)109(73)110(76,105)140-113(89,105)128(92)134(99)130(94)127(91)131(95)135(100)129(93)126(90,107)152-142(107)137(102)133(97)136(101)132(96,106)138(108,111)143(114,136)141(116,133)144(118,137)146(120,142)147(122,152)150(124)155(125)151(123)148(121)149(119)154(117)145(115,139(109,112)140)156(128,140)160(134,154)158(130,149)153(127,148)159(131,151)161(135,155)157(129,150)152/h5-54H,1-4H2.
What are the key properties of CID 20695692?
CID 20695692 has a molecular weight of 1992.23 g/mol, XLogP of 12.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20695692 is sourced from PubChem (CID 20695692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).